SCHEMBL11045530

SCHEMBL11045530

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
SHBG P04278 6/20 0.69
NR3C1 P04150 5/20 0.69
SERPINA6 P08185 5/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
MAPT P10636 4/20 0.69
CYP2C19 P33261 4/20 0.69
ADORA3 P0DMS8 3/20 0.69
BLM P54132 3/20 0.69
SLC6A3 Q01959 2/20 0.69
MAPK3 P27361 1/20 0.69
HIF1A Q16665 5/20 0.68
CYP3A4 P08684 5/20 0.68
PGR P06401 4/20 0.68
NPSR1 Q6W5P4 3/20 0.68
NR1I2 O75469 2/20 0.68
PDE3A Q14432 2/20 0.68
HPGD P15428 1/20 0.68

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
SCHEMBL7209282 0.91 SHBG (0.65) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL8853536 0.91 LMNA (0.72) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL8937171 0.91 LMNA (0.72) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL3940460 0.90 LMNA (0.73) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL4971448 0.90 LMNA (0.73) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL11101324 0.90 LMNA (0.71) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL13941349 0.89 SMN1; SMN2 (0.74) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL260024 0.89 SMN1; SMN2 (0.74) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL27048175 0.89 SMN1; SMN2 (0.74) LMNASMN1; SMN2SHBGNR3C1SERPINA6
SCHEMBL29766827 0.89 SMN1; SMN2 (0.74) LMNASMN1; SMN2SHBGNR3C1SERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482494-A Process for preparing 17α-hydroxy-pregn-4-en-3,20-dione RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-11-13 US disclosed
EP-0063368-B1 PROCESS FOR THE PREPARATION OF PREGN-4-ENE-3,20-DIONE DERIVATIVES AND 17-ALPHA-ETHYNYL-17-BETA-TRIFLUOROACETOXY-GON-4-ENE-3-ONE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE LATTER COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-07-25 EP disclosed
US-4368160-A Process for preparing 17α-hydroxy-pregn-4-en-3,20-dione derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1983-01-11 US disclosed
EP-0063368-A1 Process for the preparation of pregn-4-ene-3,20-dione derivatives and 17-alpha-ethynyl-17-beta-trifluoroacetoxy-gon-4-ene-3-one derivatives, and pharmaceutical compositions containing the latter compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1982-10-27 EP disclosed
US-4102908-A Process for the preparation of pregnane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed