SCHEMBL4436624

SCHEMBL4436624

CCCCCC(C)(C)c1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 10/20 0.36
CNR2 P34972 10/20 0.36
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2231426 0.85 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL673359 0.84 CNR1 (0.40) NPC1RAB9ALMNACNR1CNR2
SCHEMBL2944734 0.84 NPC1 (0.40) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL30389113 0.84 NPC1 (0.40) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL8962504 0.83 POLB (0.43) NPC1RAB9ALMNACNR1CNR2
SCHEMBL22289027 0.83 CNR1 (0.42) NPC1RAB9ACNR1CNR2
SCHEMBL74919 0.82 NPC1 (0.39) NPC1RAB9ALMNACNR1CNR2
SCHEMBL75758 0.80 KDM4E (0.38) NPC1RAB9ALMNACNR1CNR2
SCHEMBL769081 0.80 NPC1 (0.38) NPC1RAB9ALMNACNR1CNR2
SCHEMBL6051277 0.80 NPC1 (0.37) NPC1RAB9ALMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10132961-B2 Episulfide compound and optical material composition including same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-11-20 US disclosed
US-20180259679-A1 NOVEL EPISULFIDE COMPOUND AND OPTICAL MATERIAL COMPOSITION INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-13 US disclosed
EP-3228652-B1 EPISULFIDE COMPOUND AND OPTICAL MATERIAL COMPOSITION INCLUDING THE SAME MITSUBISHI GAS CHEMICAL CO (JP) 2018-08-29 EP disclosed
EP-3228652-A1 NOVEL EPISULFIDE COMPOUND AND OPTICAL MATERIAL COMPOSITION INCLUDING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2017-10-11 EP disclosed
EP-1702006-B1 POLYMER COMPOSITIONS, METHOD OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2009-06-17 EP disclosed
US-6770692-B1 Plastic base material ASAHI LITE OPTICAL CO., LTD. (JP) 2004-08-03 US disclosed