SCHEMBL8755727

SCHEMBL8755727

CC(=O)[C@@]1(O)C(C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 6/20 0.80
▸ SHBG P04278 8/20 0.69
▸ LMNA P02545 7/20 0.69
▸ SMN1; SMN2 Q16637 7/20 0.69
▸ NR3C1 P04150 4/20 0.69
▸ CYP2C19 P33261 4/20 0.69
▸ BLM P54132 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ MAPT P10636 3/20 0.69
▸ ADORA3 P0DMS8 2/20 0.69
▸ MAPK3 P27361 1/20 0.69
▸ SLC6A3 Q01959 1/20 0.69
▸ CYP17A1 P05093 2/20 0.66
▸ ALDH1A1 P00352 5/20 0.65
▸ PGR P06401 3/20 0.65
▸ ADRA1A P35348 2/20 0.65
▸ HTR2B P41595 2/20 0.65
▸ TSHR P16473 5/20 0.60
▸ HSD17B10 Q99714 4/20 0.60

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
SCHEMBL10868078 1.00 SERPINA6 (0.80) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL9221947 1.00 SERPINA6 (0.80) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL11682243 0.89 SERPINA6 (1.00) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL3052566 0.89 SERPINA6 (1.00) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL26178 0.89 SERPINA6 (1.00) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL9862493 0.89 HSD17B10 (0.71) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL9862485 0.89 HSD17B10 (0.71) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL7989813 0.88 SERPINA6 (0.69) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL7989808 0.88 SERPINA6 (0.69) SERPINA6SHBGLMNASMN1; SMN2NR3C1
Acetic Acid SCHEMBL28423891 0.87 SERPINA6 (0.96) SERPINA6SHBGLMNASMN1; SMN2NR3C1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402963-B1 17-Alpha ethynyl steroids UPJOHN CO (US) 1997-05-07 — — EP disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 — — WO disclosed
EP-0308412-B1 16$g(a)-METHYLATION PROCESS THE UPJOHN COMPANY (US) 1992-03-18 — — EP disclosed
EP-0148616-B1 STABILISED MONOLITHIUM ACETYLIDE AND THE ETHYNYLATION OF STEROIDS THE UPJOHN COMPANY (US) 1991-04-17 — — EP disclosed
US-4990612-A 16α-methylation process THE UPJOHN COMPANY (US) 1991-02-05 — — US disclosed
EP-0402963-A2 17-Alpha ethynyl steroids THE UPJOHN COMPANY (US) 1990-12-19 — — EP disclosed
US-4929395-A 16α-methylation process THE UPJOHN COMPANY (US) 1990-05-29 — — US disclosed
US-4891426-A EPOXIDATION WITH PERACID THE UPJOHN COMPANY (US) 1990-01-02 — — US disclosed
EP-0308412-A1 16-g(a)-METHYLATION PROCESS. UPJOHN CO (US) 1989-03-29 — — EP disclosed
EP-0276393-A2 Process for the preparation of 6-alpha, 9-alpha-difluoro-11-beta-17-alpha-dihydroxy-16-alpha-methyl-pregn-4-ene-3,20-dione and its derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 — — EP disclosed
WO-1987007612-A1 16alpha-METHYLATION PROCESS THE UPJOHN COMPANY (US) 1987-12-17 — — WO disclosed
US-4704455-A 16α-methylatedΔ17(20)-corticoids THE UPJOHN COMPANY (US) 1987-11-03 — — US disclosed
US-4618456-A Ethynylation of 16-methyl-17-keto steroids THE UPJOHN COMPANY (US) 1986-10-21 — — US disclosed
US-4567001-A 16-Methylene-17α-hydroxy-progesterones THE UPJOHN COMPANY (US) 1986-01-28 — — US disclosed
EP-0148616-A2 Stabilised monolithium acetylide and the ethynylation of steroids THE UPJOHN COMPANY (US) 1985-07-17 — — EP disclosed
US-4526720-A Process to prepare stabilized monolithium acetylide THE UPJOHN COMPANY (US) 1985-07-02 — — US disclosed
EP-0104054-A2 16-methylene-steroids and their preparation THE UPJOHN COMPANY (US) 1984-03-28 — — EP disclosed
Send feedback