SCHEMBL9412145

SCHEMBL9412145

OC(COCCCCI)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.34
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
HTT P42858 1/20 0.32
CES2 O00748 1/20 0.32
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL9550834 0.82 CETP (0.43) CETPPKMHTT
SCHEMBL8599077 0.82 USP2 (0.53) USP2PLA2G2CHTTCES2SPHK1
SCHEMBL8599113 0.80 USP2 (0.56) USP2PLA2G2CHTTCES2SPHK1
SCHEMBL8600399 0.80 USP2 (0.56) USP2PLA2G2CHTTCES2SPHK1
SCHEMBL8598288 0.80 USP2 (0.56) USP2PLA2G2CHTTCES2SPHK1
SCHEMBL8598749 0.80 USP2 (0.56) USP2PLA2G2CHTTCES2SPHK1
SCHEMBL8600393 0.80 USP2 (0.56) USP2PLA2G2CHTTCES2SPHK1
SCHEMBL8596436 0.79 USP2 (0.46) USP2PLA2G2CHTTCES2SPHK1
SCHEMBL9618655 0.76 TSHR (0.41) CETPPKMHTT
SCHEMBL8597882 0.74 HSD17B10 (0.54) CETPPKMUSP2PLA2G2CHTT

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
JP-6228036-A None JP disclosed
JP-H06228036-A 1-@(3754/24)OMEGA-HALOGENOALKYLOXY)-3,3,3-TRIFLUORO-2-PROPANOL COMPOUND AND ITS PRODUCTION JAPAN ENERGY CORP 1994-08-16 JP disclosed