SCHEMBL9067780

SCHEMBL9067780

C[CH]Oc1ccc(Cl)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 2/20 0.52
TSHR P16473 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.45
ESRRA P11474 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GPR84 Q9NQS5 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL5099452 0.77 CYP1A2 (0.59) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL9066754 0.76 PKM (0.49) LMNAKDM4EGPR84ALDH1A1KMT2A
SCHEMBL535467 0.74 LMNA (0.42) TSHRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL13019803 0.73 CYP1A2 (0.54) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL9188264 0.72 CYP1A2 (0.59) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL3751527 0.72 CYP1A2 (0.59) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL15475846 0.72 CYP3A4 (0.36) GPR84TDP1MAPK1
SCHEMBL2473555 0.72 CYP2A6 (1.00) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL29494605 0.72 CYP2A6 (1.00) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL9067781 0.72 KDM4E (0.56) CYP1A2CYP2A6TSHRNPC1RAB9A

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
EP-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 EP disclosed
US-5183870-A A curable polybutylene glycol di(meth)acrylate, a urethane or epoxy (meth)acrylate and a (meth)acrylate; heat and water resistance; impact strength; dyeability; workability MITSUBISHI RAYON CO., LTD (JP) 1993-02-02 US disclosed
EP-0441383-A2 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO., LTD. (JP) 1991-08-14 EP disclosed