SCHEMBL13622954

SCHEMBL13622954

CCc1ccc(N(c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(CC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.53
TRPA1 O75762 1/20 0.52
RELA Q04206 1/20 0.52
ESR1 P03372 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP1A1 P04798 3/20 0.50
CYP1B1 Q16678 3/20 0.50
AHR P35869 3/20 0.50
PTGS2 P35354 2/20 0.50
ABL1 P00519 1/20 0.50
TTR P02766 1/20 0.50
ABCB1 P08183 1/20 0.50
ALOX5 P09917 1/20 0.50
BCR P11274 1/20 0.50
CYP19A1 P11511 1/20 0.50
NQO2 P16083 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50

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
SCHEMBL13610268 0.94 RELA (0.64) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL12214065 0.91 RELA (0.61) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL11672988 0.91 RELA (0.61) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL8028775 0.91 RELA (0.61) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL8944100 0.89 RELA (0.63) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL10046781 0.89 RELA (0.63) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL5491168 0.89 RELA (0.63) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL4403050 0.89 RELA (0.63) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL21738407 0.89 RELA (0.63) TUBB1TRPA1RELAESR1CYP1A2
SCHEMBL5490866 0.89 RELA (0.63) TUBB1TRPA1RELAESR1CYP1A2

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-7622232-B2 Electrophotographic photoreceptor and electrophotographic imaging apparatus employing the photoreceptor SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-11-24 US disclosed
EP-1821151-A1 Electrophotographic photoreceptor and electrophotographic imaging apparatus employing the photoreceptor Samsung Electronics Co., Ltd. (KR) 2007-08-22 EP disclosed