SCHEMBL7750869

SCHEMBL7750869

CCc1ccc(N(c2ccc(C=O)cc2)c2ccc(C=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
ALDH1A3 P47895 2/20 0.61
ALDH3A1 P30838 1/20 0.61
HPGD P15428 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP2A6 P11509 3/20 0.54
CYP2A13 Q16696 1/20 0.54
IGF1R P08069 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
TYR P14679 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
ALOX5 P09917 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
SCHEMBL8361863 0.94 ALDH1A1 (0.55) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA
SCHEMBL13805753 0.94 ALDH1A1 (0.55) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA
SCHEMBL7750599 0.93 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA
SCHEMBL154747 0.89 ALDH1A1 (0.68) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA
SCHEMBL10068137 0.87 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA
Ammonia Solution, Strong SCHEMBL29186824 0.87 ALDH1A1 (0.66) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA
SCHEMBL13777810 0.87 ALDH1A1 (0.77) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA
SCHEMBL309261 0.84 ALDH1A1 (0.65) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL29258833 0.84 ALDH1A1 (0.65) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL13777913 0.84 ALDH1A1 (0.55) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA

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
EP-0812820-B1 TRIPHENYLAMINE DERIVATIVES, AND CHARGE TRANSPORT MATERIAL AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR PREPARED THEREFROM TAKASAGO PERFUMERY CO LTD (JP) 2001-01-17 EP disclosed
US-6172264-B1 REACTING A TRIPHENYLAMINE WITH A VILSMEIER IN PRESENCE OF ACID CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-01-09 US disclosed
US-5989765-A CHARGE TRANSPORT MATERIAL IS A TRIPHENYLAMINE DERIVATIVE WHERE ONE OF THE PHENYL GROUPS OF THE TRIPHENYL AMINE HAS A DIPHENYLBUTADIENYL-SUBSTITUENT AND THE OTHER TWO PHENYL GROUPS HAVE A DIPHENYLBUTADIENYL- OR DIPHENYLVINYL-FRAMEWORK TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-11-23 US disclosed
US-5910610-A Triphenylamine derivative, charge-transporting material comprising the same, and electrophotographic photoreceptor TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-06-08 US disclosed
EP-0812820-A1 TRIPHENYLAMINE DERIVATIVES, AND CHARGE TRANSPORT MATERIAL AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR PREPARED THEREFROM Takasago International Corporation (JP) 1997-12-17 EP disclosed