SCHEMBL4838747

SCHEMBL4838747

Nc1ccc(/C(=C/C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.46
TSHR P16473 1/20 0.46
MAOA P21397 4/20 0.44
MAOB P27338 3/20 0.44
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MASP2 O00187 1/20 0.41
PLAU P00749 1/20 0.41
THPO P40225 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39

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
SCHEMBL8148109 1.00 CYP1B1 (0.46) CYP1B1TSHRMAOAMAOBCYP19A1
SCHEMBL4838757 1.00 CYP1B1 (0.46) CYP1B1TSHRMAOAMAOBCYP19A1
SCHEMBL88322 0.84 ALDH1A1 (0.46) TSHRCYP19A1CYP3A4TDP1HSD17B10
SCHEMBL27744506 0.84 CYP1B1 (0.44) CYP1B1TSHRMAOAMAOBCYP19A1
SCHEMBL5338783 0.80 ESR1 (0.64) CYP1B1MAOAMAOBCYP19A1CYP3A4
SCHEMBL2786938 0.80 ESR1 (0.64) CYP1B1MAOAMAOBCYP19A1CYP3A4
SCHEMBL27959116 0.80 CYP19A1 (0.55) CYP1B1MAOAMAOBCYP19A1CYP3A4
SCHEMBL2212092 0.77 CYP19A1 (0.59) CYP1B1MAOAMAOBCYP19A1TDP1
SCHEMBL11681167 0.77 CYP19A1 (0.54) CYP1B1TSHRMAOAMAOBCYP19A1
SCHEMBL1446678 0.77 TSHR (0.53) CYP1B1TSHRMAOAMAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11288110-A None JP disclosed
US-7358016-B2 Electrophotographic photoreceptor and electrophoto-graphic apparatus equipped with the same OSAKA GAS CO., LTD. (JP) 2008-04-15 US disclosed
EP-1542083-B1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND ELECTROPHOTO- GRAPHIC APPARATUS EQUIPPED WITH THE SAME OSAKA GAS CO LTD (JP) 2006-10-04 EP disclosed
US-20050238975-A1 Electrophotographic photoreceptor and electrophoto-graphic apparatus equipped with the same OSAKA GAS CO., LTD., (JP) 2005-10-27 US disclosed
EP-1542083-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND ELECTROPHOTO- GRAPHIC APPARATUS EQUIPPED WITH THE SAME OSAKA GAS CO., LTD. (JP) 2005-06-15 EP disclosed
US-6150065-A 1-(P-AMINOPHENYL)-1,4,4-TRIPHENYLBUTADIENE DERIVATIVE CHARGE TRANSFER COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-11-21 US disclosed
JP-H11288110-A ELECTROPHOTOGRAPHIC PHOTORECEPTOR TAKASAGO INTERNATL CORP 1999-10-19 JP disclosed