SCHEMBL11275939

SCHEMBL11275939

CCOc1ccc(Oc2cccc(C(C(=O)OC)(C(C)C)C(C=C(Cl)Cl)CC)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
ACACB O00763 6/20 0.34
ADAMTS4 O75173 1/20 0.34
P2RX3 P56373 4/20 0.33
ACACA Q13085 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
GBA1 P04062 1/20 0.31

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) FPR2SCN9AP2RX3CYP2C9KDM4E
SCHEMBL11279537 0.92 PPARG (0.34) FPR2SCN9AADAMTS4P2RX3MAPT
SCHEMBL11271872 0.91 SCN9A (0.36) FPR2SCN9AP2RX3
SCHEMBL11282320 0.91 FPR2 (0.35) FPR2SCN9AACACBADAMTS4P2RX3
SCHEMBL11274647 0.90 ADAMTS4 (0.36) FPR2SCN9AACACBADAMTS4P2RX3
SCHEMBL11264169 0.83 CARM1 (0.35) SMN1; SMN2ALDH1A1KDM4EMAPK8MAPK10
SCHEMBL11273179 0.81 FPR2 (0.37) FPR2SCN9AADAMTS4P2RX3RAB9A
SCHEMBL11284587 0.80 P2RX3 (0.40) FPR2SCN9AP2RX3
SCHEMBL11279536 0.80 P2RX3 (0.39) FPR2SCN9AP2RX3CYP2C9KDM4E
SCHEMBL11272945 0.79 ACACB (0.35) FPR2SCN9AACACBADAMTS4P2RX3

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