SCHEMBL27757352

SCHEMBL27757352

ON=C(C(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1)C(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
LTA4H P09960 2/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 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
SCHEMBL28752987 0.84 ALDH1A1 (0.51) CYP1A2CYP2C19PPARGPPARALTA4H
SCHEMBL28779136 0.82 PPARG (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8332027 0.82 PPARG (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27608802 0.78 EPHX1 (0.45) SLC6A3PPARGPPARAHTT
SCHEMBL27628157 0.78 EPHX1 (0.45) RAB9ANPC1
SCHEMBL8865699 0.78 PPARG (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8871420 0.76 LMNA (0.64) LMNAPPARGPPARALTA4HFFAR1
SCHEMBL27757335 0.75 LMNA (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27716193 0.75 PPARG (0.52) PPARGPPARASMN1; SMN2NPC1FFAR1
SCHEMBL27757334 0.75 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101346358-A Estrogen modulators PFIZER PROD INC (US) 2009-01-14 CN disclosed