SCHEMBL11271872

SCHEMBL11271872

CCC(C=C(Cl)Cl)C(C(=O)OC)(c1cccc(Oc2ccc(F)cc2)n1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.36
FPR2 P25090 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 7/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
PPARG P37231 1/20 0.34
S1PR2 O95136 2/20 0.34

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
SCHEMBL11282333 0.92 P2RX3 (0.39) SCN9AFPR2MEN1KMT2AP2RX3
SCHEMBL11279537 0.92 PPARG (0.34) SCN9AFPR2P2RX3PPARG
SCHEMBL11275939 0.91 FPR2 (0.35) SCN9AFPR2P2RX3
SCHEMBL11267883 0.89 SCN9A (0.38) SCN9AFPR2MEN1KMT2AP2RX3
SCHEMBL11267834 0.88 SCN9A (0.38) SCN9AFPR2MEN1KMT2AP2RX3
SCHEMBL11264169 0.84 CARM1 (0.35) MEN1KMT2A
SCHEMBL11282320 0.81 FPR2 (0.35) SCN9AFPR2P2RX3
SCHEMBL11273179 0.81 FPR2 (0.37) SCN9AFPR2MEN1KMT2AP2RX3
SCHEMBL11274647 0.80 ADAMTS4 (0.36) SCN9AFPR2P2RX3
SCHEMBL11279536 0.80 P2RX3 (0.39) SCN9AFPR2MEN1KMT2AP2RX3

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
US-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed