SCHEMBL10748902

SCHEMBL10748902

CC[C@H](C)Cc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.56
MAOB P27338 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LDHA P00338 1/20 0.49
CYP17A1 P05093 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP19A1 P11511 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.41

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
SCHEMBL7750491 1.00 SLC6A4 (0.56) SLC6A4MAOBCYP1A2CYP2D6CYP2C19
SCHEMBL6017470 0.94 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13623704 0.94 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL269561 0.84 SMN1; SMN2 (0.48) CYP1A2CYP2C19LDHAKMT2A
SCHEMBL15583777 0.84 SMN1; SMN2 (0.48) CYP1A2CYP2C19LDHAKMT2A
SCHEMBL28296170 0.84 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL19865658 0.82 SLC6A4 (0.62) SLC6A4MAOBCYP1A2CYP2D6CYP2C19
SCHEMBL10744040 0.82 MAOB (0.56) SLC6A4MAOBCYP17A1MEN1KMT2A
SCHEMBL10744049 0.82 MAOB (0.56) SLC6A4MAOBCYP17A1MEN1KMT2A
SCHEMBL10745847 0.81 PPARG (0.42) SLC6A4CYP2D6MEN1KMT2ACYP19A1

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-20190330434-A1 METHODS FOR GRAFTING LIQUID CRYSTALLINE COATINGS ONTO POLYMER SURFACES SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2019-10-31 US disclosed
US-4676925-A Liquid crystalline biphenyl derivatives and mixtures thereof CHISSO CORPORATION (JP) 1987-06-30 US disclosed
EP-0131373-B1 LIQUID CRYSTALLINE BIPHENYL DERIVATIVES AND MIXTURES THEREOF Chisso Corporation (JP) 1986-12-30 EP disclosed
US-4614609-A FERROELECTRICITY; DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1986-09-30 US disclosed
EP-0131373-A1 Liquid crystalline biphenyl derivatives and mixtures thereof Chisso Corporation (JP) 1985-01-16 EP disclosed