SCHEMBL2833353

SCHEMBL2833353

C=CC1=CC[C@H]2[C@@H]3CC(O)c4cc(O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP19A1 P11511 15/20 0.47
ESR2 Q92731 3/20 0.44

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
SCHEMBL2834823 0.81 ESR1 (0.60) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL7056815 0.81 ESR1 (0.71) ESR1LMNASMN1; SMN2CYP19A1ESR2
SCHEMBL7060555 0.80 ESR1 (0.58) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL2838000 0.80 ESR1 (0.58) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL2831329 0.78 HSD17B1 (0.63) ESR1LMNAMAPK1CYP19A1ESR2
SCHEMBL2832728 0.78 LMNA (0.65) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL7174140 0.78 LMNA (0.65) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL2834240 0.78 ESR1 (0.58) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL2834461 0.77 ESR1 (0.54) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL2835430 0.76 ESR1 (0.73) ESR1LMNAMAPK1SMN1; 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 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