SCHEMBL9628223

SCHEMBL9628223

CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@]3(O)CC[C@@]12CC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
ESR1 P03372 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ADORA3 P0DMS8 2/20 0.57
ATM Q13315 2/20 0.57
PGR P06401 2/20 0.57
SLC6A3 Q01959 2/20 0.57
AR P10275 1/20 0.57
CHRM1 P11229 1/20 0.57
TBXA2R P21731 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
CYP3A4 P08684 4/20 0.55
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
AKR1C3 P42330 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 3/20 0.43

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
SCHEMBL9627648 0.89 MAPT (0.59) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL9627957 0.88 LMNA (0.56) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL9627672 0.87 LMNA (0.55) LMNAESR1SMN1; SMN2PGRSLC6A3
SCHEMBL8959345 0.86 LMNA (0.58) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL9144814 0.86 LMNA (0.58) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL9629474 0.85 KMT2A (0.49) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL8959387 0.83 SMN1; SMN2 (0.58) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL8938753 0.83 LMNA (0.51) LMNAESR1SMN1; SMN2PGRSLC6A3
SCHEMBL8206494 0.82 STS (0.48) LMNAESR1SMN1; SMN2CYP3A4MAPT
SCHEMBL8206491 0.82 STS (0.48) LMNAESR1SMN1; SMN2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318490-B1 14,17-G(B)-ETHANO-14-G(B)-ESTRATRIENES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP claimed
EP-0318490-B1 14,17-G(B)-ETHANO-14-G(B)-ESTRATRIENES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP disclosed