SCHEMBL11036899

SCHEMBL11036899

CCCCc1ccc(C(=O)Oc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
RARB P10826 2/20 0.43
PLK1 P53350 1/20 0.43
THRB P10828 4/20 0.42
CTRC Q99895 1/20 0.42
THRA P10827 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PPARA Q07869 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL17301237 0.87 MAPT (0.47) CNR2MAPTSMN1; SMN2CASP3SENP7
SCHEMBL9841344 0.84 MAPT (0.43) CNR2MAPTSMN1; SMN2CASP3SENP7
Fluoride SCHEMBL9841343 0.84 MAPT (0.44) CNR2MAPTSMN1; SMN2CASP3SENP7
SCHEMBL15693578 0.84 MAPT (0.48) MAPTSMN1; SMN2NPC1PRSS1ACR
SCHEMBL7735829 0.82 MAPT (0.44) MAPTSMN1; SMN2PRSS1ACRRARB
SCHEMBL778221 0.82 THRB (0.58) MAPTSMN1; SMN2NPC1PRSS1ACR
SCHEMBL7951967 0.82 THRB (0.58) MAPTSMN1; SMN2NPC1PRSS1ACR
SCHEMBL5665942 0.82 THRB (0.58) MAPTSMN1; SMN2NPC1PRSS1ACR
SCHEMBL7210214 0.82 THRB (0.58) MAPTSMN1; SMN2NPC1PRSS1ACR
SCHEMBL8913414 0.82 MAOA (0.43) CNR2MAPTSMN1; SMN2NPC1PRSS1

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
JP-59210048-A None JP disclosed
JP-S59210048-A 3-CHLORO-4-FLUOROPHENYL ESTER SEIMI KAGAKU KK 1984-11-28 JP disclosed