SCHEMBL6860436

SCHEMBL6860436

CC(=O)Oc1ccc(C#Cc2ccc(C#N)cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 1/20 0.43
HAO1 Q9UJM8 3/20 0.43
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CFD P00746 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GRM5 P41594 1/20 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
SCHEMBL3828722 0.78 CYP4F2 (0.44) USP30CYP11B1CYP11B2CYP4F2CYP4A11
SCHEMBL7067974 0.76 TSHR (0.53) GAATSHRALDH1A1RAB9AKDM4E
SCHEMBL23614061 0.75 TNFSF11 (0.50) GAATSHRALDH1A1RAB9AKDM4E
SCHEMBL28209125 0.75 USP30 (0.53) USP30CYP11B1CYP11B2GAASMN1; SMN2
SCHEMBL11673708 0.75 TSHR (0.57) GAASMN1; SMN2TSHRALDH1A1RAB9A
SCHEMBL3536980 0.74 PTGDR2 (0.51) HAO1FFAR1FFAR4GAATSHR
SCHEMBL8047746 0.73 HTT (0.58) CYP11B1CYP11B2GAASMN1; SMN2TSHR
SCHEMBL5780141 0.73 MRGPRX4 (0.49) GAATSHRALDH1A1RAB9AKDM4E
SCHEMBL27583959 0.73 ALDH1A1 (0.46) CYP11B1CYP11B2GAAALDH1A1MAPT
SCHEMBL823700 0.72 CYP4F2 (0.50) CYP4F2CYP4A11GAATSHRALDH1A1

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
US-6805920-B2 For producing liquid crystal display (LCD) NITTO DENKO CORPORATION (JP) 2004-10-19 US disclosed
US-20030072893-A1 Polymerizable liquid crystal compound and optical film NITTO DENKO CORPORATION (JP) 2003-04-17 US disclosed