SCHEMBL9075464

SCHEMBL9075464

CCCCCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(F)(F)CCCC)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 8/20 0.36
CYP2C9 P11712 1/20 0.35
P2RY14 Q15391 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
KIF11 P52732 1/20 0.33
SPHK2 Q9NRA0 4/20 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
SCHEMBL9074297 1.00 DGAT1 (0.36) DGAT1MAPTGAASPHK1CYP2C9
SCHEMBL9074106 1.00 DGAT1 (0.36) DGAT1MAPTGAASPHK1CYP2C9
SCHEMBL9073625 0.99 CYP2C9 (0.36) DGAT1MAPTGAASPHK1CYP2C9
SCHEMBL9075123 0.95 CYP2C9 (0.36) DGAT1MAPTGAASPHK1CYP2C9
SCHEMBL9075379 0.93 CYP2C9 (0.41) DGAT1MAPTSPHK1CYP2C9P2RY14
SCHEMBL9074806 0.91 KIF11 (0.34) DGAT1MAPTSPHK1CYP2C9P2RY14
SCHEMBL9075604 0.89 MAPT (0.37) DGAT1MAPTGAASPHK1CYP2C9
SCHEMBL9073110 0.89 MAPT (0.37) DGAT1MAPTGAASPHK1CYP2C9
SCHEMBL9074795 0.89 MAPT (0.37) DGAT1MAPTGAASPHK1CYP2C9
SCHEMBL9073125 0.87 CYP2C9 (0.37) DGAT1MAPTGAASPHK1CYP2C9

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
EP-0465621-B1 PARTIALLY FLUORINATED COMPOUNDS MERCK PATENT GMBH (DE) 1996-11-13 EP disclosed