SCHEMBL8999936

SCHEMBL8999936

CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.64
CYP19A1 P11511 9/20 0.58
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP17A1 P05093 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
AR P10275 2/20 0.40
BLM P54132 1/20 0.40
TSHR P16473 1/20 0.40
PGR P06401 1/20 0.40
SERPINA6 P08185 1/20 0.40
CHRM1 P11229 1/20 0.40
HIF1A Q16665 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2118371 1.00 NR3C1 (0.64) NR3C1CYP19A1LMNASMN1; SMN2CYP17A1
SCHEMBL9356884 0.91 CYP19A1 (0.56) NR3C1CYP19A1LMNASMN1; SMN2CYP17A1
SCHEMBL9356635 0.91 CYP19A1 (0.56) NR3C1CYP19A1LMNASMN1; SMN2CYP17A1
SCHEMBL9356926 0.89 CYP19A1 (0.54) NR3C1CYP19A1LMNASMN1; SMN2CYP17A1
SCHEMBL9360771 0.89 CYP19A1 (0.53) NR3C1CYP19A1LMNASMN1; SMN2CYP17A1
SCHEMBL9073294 0.88 CYP19A1 (0.63) NR3C1CYP19A1CYP17A1
SCHEMBL10708164 0.87 CYP19A1 (0.62) NR3C1CYP19A1CYP17A1
SCHEMBL8999931 0.86 CYP19A1 (0.67) NR3C1CYP19A1CYP17A1
SCHEMBL8668371 0.86 CYP19A1 (0.54) NR3C1CYP19A1LMNASMN1; SMN2CYP17A1
SCHEMBL21541438 0.85 NR3C1 (0.46) NR3C1CYP19A1LMNASMN1; SMN2CYP17A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4749649-A Microbial Δ1-dehydrogenation process using a scavenger of toxic oxygen THE UPJOHN COMPANY (US) 1988-06-07 US claimed
US-4684610-A ARTHROBACTER OR BACTERIUM THE UPJOHN COMPANY (US) 1987-08-04 US claimed
EP-0127294-B1 STEROID DEHYDROGENATION THE UPJOHN COMPANY (US) 1986-12-17 EP claimed
EP-0127294-A1 Steroid dehydrogenation THE UPJOHN COMPANY (US) 1984-12-05 EP claimed
US-4216159-A RACTION WITH METALATED OLEFIN TO GIVE 21-ALDEHYDE WHICH IS READILY CONVERTED TO DESIRED COMPOUND THE UPJOHN COMPANY (US) 1980-08-05 US claimed
EP-0515264-B1 New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor ROUSSEL UCLAF (FR) 1996-09-11 EP disclosed
EP-0474668-B1 CONVERSION OF DELTA 16-STEROID TO A DELTA 17(20)-20-SILYL ETHER THE UPJOHN COMPANY (US) 1993-08-25 EP disclosed
EP-0515264-A2 New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor ROUSSEL UCLAF (FR) 1992-11-25 EP disclosed
US-4990612-A 16α-methylation process THE UPJOHN COMPANY (US) 1991-02-05 US disclosed
WO-1990015068-A1 CONVERSION OF DELTA16-STEROID TO A DELTA17(20)-20-SILYL ETHER THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed
EP-0165037-B1 16 ALPHA-METHYL STEROIDS AND THEIR PREPARATION THE UPJOHN COMPANY (US) 1990-09-19 EP disclosed
US-4929395-A 16α-methylation process THE UPJOHN COMPANY (US) 1990-05-29 US disclosed
US-4322349-A Process for preparing 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed
US-4290963-A HEATING ONE OF THE PREGNANE SERIES SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed
EP-0034115-A2 Process for the preparation of 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1981-08-19 EP disclosed
US-4284827-A FROM SUBSTITUTED ETHANES AND ALKALI METAL ALKYLS THE UPJOHN COMPANY (US) 1981-08-18 US disclosed
EP-0023006-A1 Process for the preparation of unsaturated steroids SCHERING AKTIENGESELLSCHAFT (DE) 1981-01-28 EP disclosed
US-4216159-A RACTION WITH METALATED OLEFIN TO GIVE 21-ALDEHYDE WHICH IS READILY CONVERTED TO DESIRED COMPOUND THE UPJOHN COMPANY (US) 1980-08-05 US disclosed
US-4154748-A Phosphate catalyzed acylation of steroidal tertiary alcohols THE UPJOHN COMPANY (US) 1979-05-15 US disclosed
US-4089852-A Process for the preparation of 21-hydroxy-16-pregnen-20-one derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed