SCHEMBL2833904

SCHEMBL2833904

C#CC1=CC[C@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.63
ESR1 P03372 9/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
ESR2 Q92731 6/20 0.43
CYP19A1 P11511 5/20 0.41
SHBG P04278 2/20 0.41
PGR P06401 2/20 0.41
CYP3A4 P08684 2/20 0.41
AR P10275 2/20 0.41
SLC6A4 P31645 2/20 0.41
OPRM1 P35372 2/20 0.41
HTR2B P41595 2/20 0.41
SLC6A3 Q01959 2/20 0.41
AKR1B10 O60218 1/20 0.41
CYP1A2 P05177 1/20 0.41
SERPINA6 P08185 1/20 0.41
STS P08842 1/20 0.41
MAPT P10636 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL7879570 0.85 HSD17B1 (0.46) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL7058460 0.85 HSD17B1 (0.46) HSD17B1ESR1LMNAMAPK1PGR
SCHEMBL7056751 0.82 HSD17B1 (0.41) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL7932982 0.82 HSD17B1 (0.64) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL2831329 0.81 HSD17B1 (0.63) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL5156065 0.79 ESR1 (0.71) HSD17B1ESR1LMNAESR2CYP19A1
SCHEMBL14607585 0.79 ESR1 (0.71) HSD17B1ESR1LMNAESR2CYP19A1
SCHEMBL2838000 0.78 ESR1 (0.58) ESR1LMNAMAPK1ESR2CYP19A1
SCHEMBL7060555 0.78 ESR1 (0.58) ESR1LMNAMAPK1ESR2CYP19A1
SCHEMBL12379610 0.78 HSD17B1 (1.00) HSD17B1ESR1LMNAMAPK1ESR2

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
US-6242619-B1 BEHAVIORAL OR PHYSIOLOGICAL RESPONSE, REDUCTION OF NEGATIVE AFFECT, MOOD, AND CHARACTER TRAITS; NASAL ADMINISTRATION OF VOMEROPHERINS OR PHEROMONES, NERVOUS SYSTEM DRUG MODE PHERIN PHARMACEUTICALS, INC. 2001-06-05 US claimed
US-20100111896-A1 Items Containing A Human Pheromone Component MARENBERG BARRY J 2010-05-06 US disclosed