SCHEMBL7918293

SCHEMBL7918293

CCCCCC=CNc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.53
SOAT1 P35610 1/20 0.53
EPHX2 P34913 5/20 0.43
FAAH O00519 4/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX1 P07099 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMA1 P25786 1/20 0.38
PSMA2 P25787 1/20 0.38
PSMA3 P25788 1/20 0.38
PSMA4 P25789 1/20 0.38

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
SCHEMBL8389444 0.98 SOAT2 (0.55) SOAT2SOAT1EPHX2FAAHCNR1
SCHEMBL28868752 0.94 SOAT2 (0.46) SOAT2SOAT1EPHX2FAAHKDM4E
SCHEMBL9603838 0.86 KDM4E (0.44) SOAT2SOAT1KDM4EALDH1A1HTT
SCHEMBL3925721 0.81 SOAT2 (0.47) SOAT2SOAT1EPHX2FAAHCNR1
SCHEMBL27562769 0.81 SOAT2 (0.39) SOAT2SOAT1EPHX2FAAHCNR1
SCHEMBL5541182 0.79 KMT2A (0.40) SOAT2SOAT1KDM4EALDH1A1HTT
SCHEMBL5073196 0.79 SOAT2 (0.50) SOAT2SOAT1EPHX2FAAHCNR1
SCHEMBL5142158 0.79 SOAT2 (0.50) SOAT2SOAT1EPHX2FAAHCNR1
SCHEMBL11474561 0.79 SOAT2 (0.45) SOAT2SOAT1CNR1CNR2KDM4E
SCHEMBL11490194 0.79 SOAT2 (0.45) SOAT2SOAT1CNR1CNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235923-B1 RETINOIDS AND CELL DIFFERENTIATION ALLERGAN SALES, INC. 2001-05-22 US disclosed
US-6225494-B1 TREATING SKIN DISORDERS, REDUCED SIDE EFFECTS ALLERGAN SALES, INC. 2001-05-01 US disclosed
US-6037488-A COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID ALLERGAN SALES, INC. (US) 2000-03-14 US disclosed
EP-0975573-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2000-02-02 EP disclosed
WO-1998047854-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1998-10-29 WO disclosed