SCHEMBL2832330

SCHEMBL2832330

C=C[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.57
ESR2 Q92731 2/20 0.57
CYP19A1 P11511 6/20 0.54
LMNA P02545 5/20 0.54
CYP3A4 P08684 5/20 0.54
TSHR P16473 4/20 0.54
NR3C1 P04150 4/20 0.54
SHBG P04278 4/20 0.54
PGR P06401 4/20 0.54
MAPT P10636 4/20 0.54
HSD17B10 Q99714 3/20 0.54
SERPINA6 P08185 3/20 0.54
GPBAR1 Q8TDU6 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
MAPK1 P28482 3/20 0.54
SNCA P37840 2/20 0.54
CACNA1C Q13936 2/20 0.54
CYP51A1 Q16850 2/20 0.54
OR51E2 Q9H255 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51

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
SCHEMBL3648448 0.86 LMNA (0.69) ARCYP19A1LMNACYP3A4TSHR
SCHEMBL13917679 0.86 LMNA (0.69) ARCYP19A1LMNACYP3A4TSHR
SCHEMBL17209919 0.83 CYP19A1 (0.76) ARESR2CYP19A1LMNACYP3A4
SCHEMBL13084093 0.83 CYP19A1 (0.76) ARESR2CYP19A1LMNACYP3A4
SCHEMBL2838514 0.81 CYP3A4 (0.55) ARCYP19A1LMNACYP3A4TSHR
SCHEMBL21386973 0.81 ALDH1A1 (0.77) ARLMNACYP3A4TSHRNR3C1
SCHEMBL2834232 0.80 LMNA (0.54) ARESR2CYP19A1LMNACYP3A4
SCHEMBL10000326 0.79 SHBG (0.57) ARCYP19A1LMNACYP3A4TSHR
SCHEMBL17209908 0.78 SHBG (0.76) ARESR2CYP19A1LMNACYP3A4
SCHEMBL1249378 0.77 SHBG (0.53) ARESR2CYP19A1LMNACYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830369-B1 NOR-PREGNANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN PHARM INC (US) 2003-05-14 EP claimed
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
EP-0830369-B1 NOR-PREGNANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN PHARM INC (US) 2003-05-14 EP disclosed
US-6331534-B1 ADMINISTERING EFFECTIVE AMOUNT OF STEROID WITHIN NASAL PASSAGE OF INDIVIDUAL SUCH THAT IT BINDS SPECIFICALLY TO RECEPTORS ON SURFACE OF NASAL NEUROEPITHELIAL CELLS IN VOMERONASAL ORGAN PHERIN PHARMACEUTICALS, INC. 2001-12-18 US disclosed
US-6117860-A NASALLY ADMINISTERING STEROID WHICH BINDS TO A SPECIFIC NEUROEPITHELIAL RECEPTOR FOR ALLEVIATING PREMENSTRUAL TENSION AND ANXIETY PHERIN PHARMACEUTICALS, INC. (US) 2000-09-12 US disclosed
US-6066627-A ALTERING BLOOD CONCNETRATION OF LUTEINIZING HORMONE PHERIN CORPORATION (US) 2000-05-23 US disclosed
US-6057439-A EPOXYSTEROIDS PHERIN CORPORATION (US) 2000-05-02 US disclosed
US-5962443-A 19-nur-pregnane steroids as neurochemical initiators of change in human hypothalamic function PHERIN CORPORATION (US) 1999-10-05 US disclosed
EP-0830369-A4 NOVEL NOR-PREGNANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN PHARM INC (US) 1999-06-09 EP disclosed
US-5792757-A ANTIFERTILITY AGENTS, ANXIOLYTIC AGENTS PHERIN PHARMACEUTICALS (US) 1998-08-11 US disclosed
EP-0830369-A1 NOVEL NOR-PREGNANES FOR INDUCING HYPOTHALAMIC EFFECTS Pherin Pharmaceuticals, Inc. (US) 1998-03-25 EP disclosed
WO-1996040727-A1 NOVEL NOR-PREGNANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed