SCHEMBL9115170

SCHEMBL9115170

O=C(c1ccc(Cl)cc1OCC(F)(F)F)c1cnoc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CNR2 P34972 12/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
DHODH Q02127 2/20 0.40
MGLL Q99685 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GSK3B P49841 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
SCHEMBL9115727 0.87 PTGDR2 (0.37) ALDH1A1DHODH
SCHEMBL8492789 0.82 DHODH (0.44) CNR2DHODH
SCHEMBL9116248 0.80 ALDH1A1 (0.44) ALDH1A1POLBCNR2DHODHKDM4C
SCHEMBL9115709 0.80 DHODH (0.38) CNR2DHODH
SCHEMBL9323637 0.79 STAT3 (0.35) DHODH
SCHEMBL9113188 0.79 DHODH (0.40) DHODH
SCHEMBL8489359 0.79 SMN1; SMN2 (0.43) ALDH1A1DHODH
SCHEMBL9116243 0.78 ALDH1A1 (0.42) ALDH1A1POLBCNR2DHODHKDM4C
SCHEMBL9115261 0.78 DHODH (0.36) CNR2DHODH
SCHEMBL9115702 0.78 DHODH (0.36) CNR2DHODH

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-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed