SCHEMBL2834393

SCHEMBL2834393

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ESR1 P03372 2/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP19A1 P11511 18/20 0.55
HSD17B1 P14061 2/20 0.46
AKR1B10 O60218 1/20 0.46
SHBG P04278 1/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
SERPINA6 P08185 1/20 0.46
CYP3A4 P08684 1/20 0.46
STS P08842 1/20 0.46
AR P10275 1/20 0.46
MAPT P10636 1/20 0.46
AKR1B1 P15121 1/20 0.46
NFKB1 P19838 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
SNCA P37840 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
SCHEMBL2832728 0.86 LMNA (0.65) LMNAESR1MAPK1SMN1; SMN2CYP19A1
SCHEMBL7174140 0.86 LMNA (0.65) LMNAESR1MAPK1SMN1; SMN2CYP19A1
SCHEMBL6064988 0.82 CYP19A1 (0.78) LMNAESR1MAPK1SMN1; SMN2CYP19A1
SCHEMBL6252346 0.82 CYP19A1 (0.78) LMNAESR1MAPK1SMN1; SMN2CYP19A1
SCHEMBL2838468 0.81 LMNA (0.62) LMNAESR1MAPK1SMN1; SMN2CYP19A1
SCHEMBL7055708 0.81 ESR1 (0.69) LMNAESR1SMN1; SMN2CYP19A1HSD17B1
SCHEMBL2838467 0.81 LMNA (0.62) LMNAESR1MAPK1SMN1; SMN2CYP19A1
SCHEMBL8648522 0.81 LMNA (0.61) LMNAESR1MAPK1SMN1; SMN2CYP19A1
SCHEMBL2835007 0.78 HSD17B1 (0.74) LMNAESR1MAPK1CYP19A1HSD17B1
SCHEMBL2830424 0.76 LMNA (0.55) LMNAESR1MAPK1SMN1; SMN2CYP19A1

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