SCHEMBL8781998

SCHEMBL8781998

Cc1ccc(OCc2ccccc2C(=O)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 2/20 0.49
MAOA P21397 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
OPRL1 P41146 1/20 0.47
NR4A2 P43354 1/20 0.47
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.44
PARP10 Q53GL7 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8076831 0.87 PTPRC (0.51) MAOBFFAR1MAOANPC1RAB9A
SCHEMBL5988399 0.86 TP53 (0.56) MAOBFFAR1FFAR4NPC1RAB9A
SCHEMBL8782222 0.86 NR4A2 (0.51) MAOBFFAR1FFAR4MAOANPC1
SCHEMBL8782089 0.85 RXRA (0.50) MAOBFFAR1FFAR4MAOANPC1
SCHEMBL8782031 0.84 FFAR1 (0.49) MAOBFFAR1FFAR4MAOANR4A2
SCHEMBL8782000 0.84 ESR1 (0.51) MAOBMAOANPC1RAB9AMEN1
SCHEMBL9442083 0.84 HIF1A (0.48) MAOBFFAR1FFAR4NPC1RAB9A
SCHEMBL15286510 0.83 ALDH1A1 (0.51) MAOBFFAR1FFAR4NPC1RAB9A
SCHEMBL1756370 0.82 FFAR1 (0.56) MAOBFFAR1FFAR4OPRL1NR4A2
SCHEMBL13433524 0.82 NR4A2 (0.44) MAOBFFAR1FFAR4MAOANR4A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718279-B1 Process for the preparation of o-substituted benzoylcyanides BASF AG (DE) 1997-09-24 EP disclosed
EP-0718279-A1 Process for the preparation of o-substituted benzoylcyanides BASF AKTIENGESELLSCHAFT (DE) 1996-06-26 EP disclosed
US-5221762-A Reacting a phenol with benzolactone compound; then phosgene or thionyl chloride; esterification with alcohol BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0493711-A1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF Aktiengesellschaft (DE) 1992-07-08 EP disclosed