SCHEMBL8370558

SCHEMBL8370558

OCCCCOc1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
PDK2 Q15119 4/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PRSS1 P07477 1/20 0.42

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
SCHEMBL8955822 0.98 PDK2 (0.49) PIM1PDK2HDAC1HDAC2FFAR1
SCHEMBL31466611 0.95 PIM1 (0.52) PIM1PDK2HDAC1HDAC2FFAR1
SCHEMBL2095220 0.95 PIM1 (0.52) PIM1PDK2HDAC1HDAC2FFAR1
SCHEMBL2097585 0.90 ALDH1A1 (0.52) PIM1PDK2HDAC1HDAC2FFAR1
SCHEMBL8955633 0.90 HDAC1 (0.47) PIM1PDK2HDAC1HDAC2
SCHEMBL8928374 0.86 PRSS1 (0.53) PDK2PRSS1
SCHEMBL8928364 0.84 PRSS1 (0.55) PDK2PRSS1
SCHEMBL2091806 0.82 CETP (0.44) PIM1FFAR1
SCHEMBL24305889 0.82 TSHR (0.59) PDK2
SCHEMBL14121551 0.82 KIF11 (0.46) HDAC1HDAC2PRSS1

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
WO-1999065869-A1 SUBSTITUTED N-ARYL-O-ALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-23 WO disclosed