SCHEMBL9762472

SCHEMBL9762472

CCCCn1c2ccccc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.68
CNR1 P21554 1/20 0.56
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL29391189 0.95 CNR2 (0.59) CNR2CNR1ALDH1A1NPC1
SCHEMBL262367 0.95 CNR2 (0.59) CNR2CNR1ALDH1A1NPC1
SCHEMBL15387690 0.93 CNR2 (0.58) CNR2CNR1ALDH1A1NPC1
SCHEMBL705522 0.90 CNR2 (0.62) CNR2CNR1ALDH1A1NPC1
SCHEMBL29413745 0.90 CNR2 (0.62) CNR2CNR1ALDH1A1NPC1
SCHEMBL476866 0.90 CNR2 (0.62) CNR2CNR1ALDH1A1NPC1
SCHEMBL29415349 0.90 CNR2 (0.62) CNR2CNR1ALDH1A1NPC1
SCHEMBL2961648 0.86 KDM4E (0.56) CNR2ALDH1A1HPGDNPC1
SCHEMBL29625805 0.86 KDM4E (0.56) CNR2ALDH1A1HPGDNPC1
SCHEMBL8898348 0.84 CNR2 (0.58) CNR2CNR1ALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071888-A Storage stability ASAHI DENKA KOGYO K.K. (JP) 1991-12-10 US disclosed
EP-0171600-B1 CARBAZOLE PHOTOINITIATORS FOR THE PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1991-06-12 EP disclosed
EP-0171600-A1 Carbazole photoinitiators for the photopolymerization of unsaturated compounds ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1986-02-19 EP disclosed