SCHEMBL4447229

SCHEMBL4447229

C=C(C)C(=O)Oc1cc(C(C)(C)C)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.39
MAPT P10636 6/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ATM Q13315 1/20 0.34
IGF2BP2 Q9Y6M1 1/20 0.34
THRB P10828 1/20 0.34
ELANE P08246 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL5813866 0.88 NPC1 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4444701 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL27937349 0.84 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL5417312 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL106698 0.81 NPC1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29372465 0.81 NPC1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL2777176 0.81 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL4444755 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL4441567 0.78 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL1264001 0.78 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256611-B1 Aqueous dispersion and coated product JSR CORP (JP) 2009-07-29 EP disclosed
US-6726997-B2 WWATERPROOF, HARDNESS, RATION TRANSPARENT; PROTECTIVE COATINGS JSR CORPORATION (JP) 2004-04-27 US disclosed
US-20030073779-A1 Aqueous dispersion and coated product JSR CORPORATION (JP) 2003-04-17 US disclosed
EP-1256611-A2 Aqueous dispersion and coated product JSR Corporation (JP) 2002-11-13 EP disclosed