SCHEMBL9717221

SCHEMBL9717221

CCCCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)C(F)F)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SPHK1 Q9NYA1 3/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 8/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RY14 Q15391 1/20 0.37

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
SCHEMBL9074048 1.00 MAPT (0.40) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9717214 1.00 MAPT (0.40) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9074045 1.00 MAPT (0.40) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9074854 0.99 MAPT (0.40) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9074860 0.99 MAPT (0.40) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9074156 0.95 ALDH1A1 (0.41) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9074154 0.95 ALDH1A1 (0.41) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9074477 0.90 ALDH1A1 (0.49) MAPTALDH1A1LMNACNR2CYP2C9
SCHEMBL9074480 0.90 ALDH1A1 (0.49) MAPTALDH1A1LMNACNR2CYP2C9
SCHEMBL7914043 0.89 MAPT (0.39) MAPTALDH1A1LMNASPHK1GAA

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
EP-0465621-A1 PARTIALLY FLUORINATED COMPOUNDS. MERCK PATENT GMBH (DE) 1992-01-15 EP disclosed
WO-1991011418-A1 PARTIALLY FLUORINATED COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-08-08 WO disclosed