SCHEMBL2835312

SCHEMBL2835312

CCCC[C@H]1CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ ESR1 P03372 4/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ PGR P06401 3/20 0.49
▸ ADORA3 P0DMS8 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ AR P10275 2/20 0.49
▸ CHRM1 P11229 2/20 0.49
▸ TBXA2R P21731 2/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ PDE3A Q14432 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 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
SCHEMBL2835200 0.89 ALOX15 (0.53) MAPTLMNAESR1ALOX15PGR
SCHEMBL9169476 0.88 ESR1 (0.53) MAPTLMNAESR1ALOX15PGR
SCHEMBL6463142 0.85 ESR1 (0.55) MAPTLMNAESR1ALOX15PGR
SCHEMBL9558275 0.81 ESR1 (0.58) MAPTLMNAESR1ALOX15PGR
SCHEMBL3451745 0.81 ESR1 (0.58) MAPTLMNAESR1ALOX15PGR
SCHEMBL2832705 0.80 CYP19A1 (0.38) MAPTLMNAESR1PGRCYP3A4
SCHEMBL2834607 0.78 ESR1 (0.50) MAPTLMNAESR1ALOX15PGR
SCHEMBL7616946 0.78 LMNA (0.35) MAPTLMNAESR1ALOX15PGR
SCHEMBL5146812 0.76 CYP19A1 (0.35) MAPTLMNAESR1ALOX15PGR
SCHEMBL2831316 0.76 ESR1 (0.47) MAPTLMNAESR1ALOX15PGR

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-6437156-B1 ANTIANXIETY; AFFECTS THE FUNCTION OF THE AUTONOMIC NERVOUS SYSTEM AND A VARIETY OF BEHAVIORAL OR PHYSIOLOGICAL ACTIONS; VOMEROPHERINS; PHEROMONES PHERIN CORPORATION 2002-08-20 — — 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
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