SCHEMBL2834232

SCHEMBL2834232

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 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
AR P10275 6/20 0.54
CYP3A4 P08684 5/20 0.54
TSHR P16473 5/20 0.54
NR3C1 P04150 4/20 0.54
SHBG P04278 4/20 0.54
PGR P06401 4/20 0.54
CYP19A1 P11511 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 4/20 0.54
HIF1A Q16665 3/20 0.54

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
Itruvone SCHEMBL18708951 0.86 LMNA (0.69) LMNAARCYP3A4TSHRNR3C1
Itruvone SCHEMBL15853688 0.86 LMNA (0.69) LMNAARCYP3A4TSHRNR3C1
Itruvone SCHEMBL6819079 0.86 LMNA (0.69) LMNAARCYP3A4TSHRNR3C1
SCHEMBL25281049 0.84 LMNA (0.45) LMNAARCYP3A4TSHRNR3C1
SCHEMBL13084093 0.83 CYP19A1 (0.76) LMNAARCYP3A4TSHRNR3C1
SCHEMBL17209919 0.83 CYP19A1 (0.76) LMNAARCYP3A4TSHRNR3C1
SCHEMBL21386973 0.83 ALDH1A1 (0.77) LMNAARCYP3A4TSHRNR3C1
SCHEMBL3633398 0.82 CYP19A1 (0.52) LMNAARCYP3A4TSHRNR3C1
SCHEMBL2838514 0.81 CYP3A4 (0.55) LMNAARCYP3A4TSHRNR3C1
SCHEMBL2832330 0.80 AR (0.57) LMNAARCYP3A4TSHRNR3C1

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