SCHEMBL8710195

SCHEMBL8710195

C=C1CC[C@H]2[C@@H]3CCc4c[c]ccc4[C@H]3CC[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.47
HSD17B1 P14061 4/20 0.47
ESR1 P03372 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
ESR2 Q92731 2/20 0.47
CYP19A1 P11511 2/20 0.47
SHBG P04278 2/20 0.47
AKR1B10 O60218 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
SERPINA6 P08185 1/20 0.47
CYP3A4 P08684 1/20 0.47
AR P10275 1/20 0.47
AKR1B1 P15121 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
SNCA P37840 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL7165568 0.86 STS (0.65) STSHSD17B1ESR1LMNAMAPT
SCHEMBL21356582 0.86 STS (0.65) STSHSD17B1ESR1LMNAMAPT
SCHEMBL7186449 0.83 HSD17B1 (0.43) STSHSD17B1ESR1LMNAMAPT
SCHEMBL5972928 0.81 AKR1C3 (0.54) STSHSD17B1ESR1LMNAMAPT
SCHEMBL2452535 0.80 SHBG (0.64) STSHSD17B1ESR1LMNAMAPT
SCHEMBL1257193 0.79 SHBG (0.59) STSHSD17B1ESR1LMNAMAPT
SCHEMBL12888972 0.78 ESR1 (0.75) STSHSD17B1ESR1LMNAMAPT
SCHEMBL14924234 0.78 ESR1 (0.75) STSHSD17B1ESR1LMNAMAPT
SCHEMBL5525067 0.78 ESR1 (0.75) STSHSD17B1ESR1LMNAMAPT
SCHEMBL1236350 0.78 ESR1 (0.75) STSHSD17B1ESR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998014194-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF ANXIETY PHERIN PHARMACEUTICALS (US) 1998-04-09 WO disclosed
WO-1997036596-A9 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH 1997-12-04 WO disclosed
WO-1997036596-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed