SCHEMBL9627615

SCHEMBL9627615

CCCCCCCCCC(=O)O[C@]12CC[C@]3(CC1)[C@@H]1CCc4cc(OC)ccc4[C@H]1CC[C@]23C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B1 P14061 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 5/20 0.43
KMT2A Q03164 3/20 0.42
PGR P06401 3/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
AR P10275 2/20 0.42
CHRM1 P11229 2/20 0.42
TBXA2R P21731 2/20 0.42
ATM Q13315 2/20 0.42
POLB P06746 1/20 0.42
PTGS1 P23219 1/20 0.42
PDE3A Q14432 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL9627826 0.99 LMNA (0.46) LMNAMAPTSMN1; SMN2HSD17B1RECQL
SCHEMBL10649796 0.97 LMNA (0.44) LMNAMAPTSMN1; SMN2HSD17B1RECQL
SCHEMBL9627529 0.93 LMNA (0.48) LMNAMAPTSMN1; SMN2HSD17B1RECQL
SCHEMBL9628559 0.92 KMT2A (0.45) LMNAMAPTSMN1; SMN2RECQLESR1
SCHEMBL9627384 0.89 LMNA (0.49) LMNAMAPTSMN1; SMN2HSD17B1RECQL
SCHEMBL9627471 0.85 ESR1 (0.54) LMNAMAPTSMN1; SMN2HSD17B1RECQL
SCHEMBL9725135 0.85 ESR1 (0.54) LMNAMAPTSMN1; SMN2HSD17B1RECQL
SCHEMBL9628216 0.82 MAPT (0.55) LMNAMAPTSMN1; SMN2HSD17B1RECQL
SCHEMBL9629474 0.81 KMT2A (0.49) LMNAMAPTSMN1; SMN2RECQLESR1
SCHEMBL9627967 0.79 MAPT (0.53) LMNAMAPTSMN1; SMN2HSD17B1RECQL

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