SCHEMBL9065717

SCHEMBL9065717

CCCCCC(CC)(c1nc(=O)c2ccccc2o1)c1nc(=O)c2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
FAAH O00519 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 1/20 0.36
ELANE P08246 2/20 0.36

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
SCHEMBL9065712 0.99 CYP1A2 (0.40) CYP1A2CYP2C19CYP3A4CYP2C9LMNA
SCHEMBL3794258 0.91 NPC1 (0.41) CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL3787635 0.77 NPC1 (0.44) CYP1A2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL4536987 0.73 RAB9A (0.52) CYP1A2CYP2C19CYP3A4CYP2C9LMNA
SCHEMBL9418052 0.67 NPC1 (0.49) CYP2C19CYP3A4CYP2C9ALDH1A1NPC1
SCHEMBL22898347 0.66 MAPT (0.41) LMNAALDH1A1NPC1RAB9AFAAH
SCHEMBL2882726 0.66 NPC1 (0.58) CYP3A4LMNAALDH1A1NPC1RAB9A
SCHEMBL3533214 0.65 KDM4E (0.57) CYP3A4LMNAALDH1A1NPC1RAB9A
SCHEMBL28568187 0.64 RAB9A (0.49) CYP1A2CYP2C19CYP3A4ALDH1A1NPC1
SCHEMBL5707868 0.64 NPC1 (0.55) CYP1A2CYP2C19CYP3A4CYP2C9LMNA

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
EP-0737231-A1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INDUSTRIES, INC. (KR) 1996-10-16 EP disclosed
WO-1995018181-A1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INDUSTRIES, INC. (KR) 1995-07-06 WO disclosed