SCHEMBL7197250

SCHEMBL7197250

CC(C(=O)O)c1oc2ccc(C#N)cc2c1C(=O)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.45
EYA3 Q99504 5/20 0.45
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
CYP2C19 P33261 1/20 0.40
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
CNR1 P21554 1/20 0.38
CASP1 P29466 1/20 0.38
CNR2 P34972 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 2/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL5227553 0.76 SLC22A12 (0.53) SLC22A12EYA3LMNAHTTMAPT
SCHEMBL5227159 0.75 EYA3 (0.66) SLC22A12EYA3CYP2C9ESR1PTPN1
SCHEMBL5672687 0.73 SLC22A12 (0.52) SLC22A12EYA3LMNAHTTCYP3A4
SCHEMBL5962921 0.70 CA2 (0.70) LMNAHTTMAPTSMN1; SMN2POLB
SCHEMBL10514760 0.67 NPC1 (0.55) CYP2C19CYP3A4MAPTCASP1SMN1; SMN2
SCHEMBL8624371 0.67 HTT (0.63) SLC22A12EYA3LMNAHTTCYP2C19
SCHEMBL11879835 0.66 HSD17B3 (0.53) LMNACYP2C19CYP3A4MAPTALOX15
SCHEMBL9471774 0.66 HTT (0.58) SLC22A12EYA3LMNAHTTCYP2C19
SCHEMBL4255166 0.66 LMNA (0.58) LMNAHTTCYP2C19CYP3A4MAPT
SCHEMBL16547821 0.65 SLC22A12 (0.51) SLC22A12EYA3LMNAHTTCYP2C19

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
EP-1315710-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016340-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed