SCHEMBL2835007

SCHEMBL2835007

C=C=C1CC[C@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.74
LMNA P02545 2/20 0.60
ESR1 P03372 2/20 0.60
MAPK1 P28482 1/20 0.60
CYP19A1 P11511 12/20 0.49
STS P08842 4/20 0.49
AKR1B10 O60218 1/20 0.49
SHBG P04278 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
SERPINA6 P08185 1/20 0.49
CYP3A4 P08684 1/20 0.49
AR P10275 1/20 0.49
MAPT P10636 1/20 0.49
AKR1B1 P15121 1/20 0.49
NFKB1 P19838 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRM1 P35372 1/20 0.49
SNCA P37840 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL7176305 0.86 HSD17B1 (0.80) HSD17B1LMNAESR1MAPK1CYP19A1
SCHEMBL12379610 0.85 HSD17B1 (1.00) HSD17B1LMNAESR1MAPK1CYP19A1
SCHEMBL1977286 0.85 HSD17B1 (1.00) HSD17B1LMNAESR1MAPK1CYP19A1
SCHEMBL7921185 0.81 HSD17B1 (0.76) HSD17B1LMNAESR1MAPK1CYP19A1
SCHEMBL7921186 0.81 HSD17B1 (0.76) HSD17B1LMNAESR1MAPK1CYP19A1
SCHEMBL7055708 0.80 ESR1 (0.69) HSD17B1LMNAESR1CYP19A1STS
SCHEMBL2834393 0.78 LMNA (0.60) HSD17B1LMNAESR1MAPK1CYP19A1
SCHEMBL8205348 0.76 HSD17B1 (0.79) HSD17B1LMNAESR1MAPK1CYP19A1
SCHEMBL12593631 0.76 HSD17B1 (0.79) HSD17B1LMNAESR1MAPK1CYP19A1
SCHEMBL2831329 0.75 HSD17B1 (0.63) HSD17B1LMNAESR1MAPK1CYP19A1

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