SCHEMBL2831329

SCHEMBL2831329

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 5/20 0.63
ESR1 P03372 7/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
ESR2 Q92731 4/20 0.43
CYP19A1 P11511 7/20 0.41
AKR1B10 O60218 1/20 0.41
SHBG P04278 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
SERPINA6 P08185 1/20 0.41
CYP3A4 P08684 1/20 0.41
STS P08842 1/20 0.41
AR P10275 1/20 0.41
MAPT P10636 1/20 0.41
AKR1B1 P15121 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
SNCA P37840 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
SCHEMBL7932982 0.82 HSD17B1 (0.64) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL2833904 0.81 HSD17B1 (0.63) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL7056815 0.79 ESR1 (0.71) HSD17B1ESR1LMNAESR2CYP19A1
SCHEMBL7176305 0.79 HSD17B1 (0.80) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL2833353 0.78 ESR1 (0.58) ESR1LMNAMAPK1ESR2CYP19A1
SCHEMBL12379610 0.78 HSD17B1 (1.00) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL1977286 0.78 HSD17B1 (1.00) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL2834941 0.77 ESR1 (0.72) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL7921186 0.76 HSD17B1 (0.76) HSD17B1ESR1LMNAMAPK1ESR2
SCHEMBL12379651 0.76 HSD17B1 (0.65) 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 3 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
WO-2007062023-A2 ITEMS CONTAINING A HUMAN PHEROMONE COMPONENT BRAGINSKY PHILIP Y (US) 2007-05-31 WO disclosed