SCHEMBL9629474

SCHEMBL9629474

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
ESR1 P03372 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
ATM Q13315 3/20 0.46
CYP3A4 P08684 3/20 0.46
PGR P06401 2/20 0.46
AR P10275 2/20 0.46
CHRM1 P11229 2/20 0.46
TBXA2R P21731 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
PTGS1 P23219 1/20 0.46
PDE3A Q14432 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46

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 0.90 MAPT (0.59) KMT2AMAPTMEN1THRBSMN1; SMN2
SCHEMBL9628559 0.89 KMT2A (0.45) KMT2AMAPTMEN1THRBSMN1; SMN2
SCHEMBL9628223 0.85 LMNA (0.57) KMT2AMAPTMEN1THRBSMN1; SMN2
SCHEMBL9627826 0.82 LMNA (0.46) KMT2AMAPTMEN1THRBSMN1; SMN2
SCHEMBL9627615 0.81 LMNA (0.45) KMT2AMAPTMEN1THRBSMN1; SMN2
SCHEMBL9627672 0.80 LMNA (0.55) MAPTSMN1; SMN2LMNAESR1CYP3A4
SCHEMBL10649796 0.80 LMNA (0.44) KMT2AMAPTMEN1THRBSMN1; SMN2
SCHEMBL9628216 0.79 MAPT (0.55) KMT2AMAPTMEN1THRBSMN1; SMN2
SCHEMBL26659900 0.78 CYP3A4 (0.66) KMT2AMAPTMEN1THRBSMN1; SMN2
SCHEMBL3322364 0.78 CYP3A4 (0.66) KMT2AMAPTMEN1THRBSMN1; SMN2

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 1 patent. 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 disclosed