SCHEMBL31067892

SCHEMBL31067892

OCCCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.49
DAO P14920 3/20 0.48
TRPV4 Q9HBA0 1/20 0.46
CA2 P00918 3/20 0.43
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL14028936 1.00 TKT (0.49) TKTDAOTRPV4CA2PLAAT3
SCHEMBL7993760 0.95 TKT (0.48) TKTDAOTRPV4CA2PLAAT3
SCHEMBL1259004 0.89 TKT (0.55) TKTDAOTRPV4CA2PLAAT3
SCHEMBL991269 0.82 DAO (0.48) TKTDAOTRPV4PLAAT3PLAAT5
SCHEMBL5657097 0.82 DAO (0.48) TKTDAOTRPV4PLAAT3PLAAT5
SCHEMBL20249204 0.82 CA2 (0.43) TKTCA2LTA4HEPHX2CYP3A4
SCHEMBL12224352 0.82 NFKB1 (0.50) TKTDAOTRPV4CA2KDM1A
SCHEMBL29525326 0.81 TRPV4 (0.52) TKTDAOTRPV4KDM1AMAOA
SCHEMBL132198 0.81 TRPV4 (0.52) TKTDAOTRPV4KDM1AMAOA
SCHEMBL18737245 0.81 RAB9A (0.48) TKTDAOTRPV4CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510783-A Spiro modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-08-16 CN disclosed