SCHEMBL4797944

SCHEMBL4797944

C=C(Cc1ccc(C2CCC(Br)CC2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 5/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
RORC P51449 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL1088632 0.86 PANK3 (0.41) PANK3NPC1RAB9AHAO1KDM4C
SCHEMBL1088773 0.86 HAO1 (0.49) HAO1ALDH1A1POLBRORCHRH3
SCHEMBL1089132 0.85 ESR2 (0.49) PANK3NPC1RAB9AHAO1KDM4C
SCHEMBL1089454 0.84 HAO1 (0.51) NPC1RAB9AHAO1RORCHRH3
SCHEMBL1088973 0.84 HAO1 (0.51) NPC1RAB9AHAO1RORCHRH3
SCHEMBL4809032 0.82 NPC1 (0.41) PANK3NPC1RAB9AHAO1KDM4C
SCHEMBL1089029 0.81 CYP19A1 (0.41) PANK3HAO1KDM4CALDH1A1RORC
SCHEMBL4802987 0.79 ALDH1A1 (0.45) PANK3NPC1RAB9AHAO1KDM4C
SCHEMBL4802628 0.76 HAO1 (0.42) NPC1RAB9AHAO1ALDH1A1MRGPRX4
SCHEMBL3426193 0.76 CA2 (0.46) ALDH1A1

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
US-7416821-B2 Thermally cured undercoat for lithographic application FUJIFILM ELECTRONIC MATERIALS, U.S.A., INC. (US) 2008-08-26 US disclosed
EP-1743363-A2 THERMALLY CURED UNDERCOAT FOR LITHOGRAPHIC APPLICATION FujiFilm Electronic Materials USA, Inc. (US) 2007-01-17 EP disclosed
US-20050238997-A1 Thermally cured undercoat for lithographic application FUJIFILM ELECTRONIC MATERIALS, U.S.A., INC. 2005-10-27 US disclosed
WO-2005089150-A2 THERMALLY CURED UNDERCOAT FOR LITHOGRAPHIC APPLICATION FUJIFILM ELECTRONIC MATERIALS USA INC. (US) 2005-09-29 WO disclosed