SCHEMBL7422948

SCHEMBL7422948

CCC1Oc2ccccc2C1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
KDM5A P29375 2/20 0.38
GRM8 O00222 1/20 0.38
GRM7 Q14831 1/20 0.38
GRM4 Q14833 1/20 0.38
KDM4A O75164 1/20 0.38
KAT2A Q92830 2/20 0.37
ABCB1 P08183 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 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
SCHEMBL8427998 1.00 KMT2A (0.41) KMT2AMEN1USP2TSHRSMN1; SMN2
Propionic Acid SCHEMBL7472691 0.78 KMT2A (0.39) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL8787996 0.78 KMT2A (0.39) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL18740908 0.77 POLB (0.42) KMT2AMEN1USP2POLBCASP6
SCHEMBL5542835 0.75 ABCB1 (0.41) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL29155508 0.75 POLB (0.43) KMT2AMEN1USP2POLBCASP6
SCHEMBL5542843 0.75 MAOA (0.41) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL16523884 0.75 KDM5A (0.45) KMT2AMEN1USP2TSHRPOLB
SCHEMBL9329510 0.75 POLB (0.51) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL9348186 0.74 CYP2C9 (0.39) KMT2AMEN1USP2TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824531-B1 METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN PF MEDICAMENT (FR) 2000-03-22 EP claimed
US-5880296-A RACEMIC MIXTURE IS RESOLVED BY SELECTIVE CRYSTALLIZATION WITH THE APPROPRIATE OPTICALLY PURE ENANTIOMER OF 2-PHENYLGLYCINOL; ANTIDEPRESSANT, MIGRAINE DRUG SYNTHESIS PIERRE FABRE MEDICAMENT (FR) 1999-03-09 US claimed
EP-0824531-B1 METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN PF MEDICAMENT (FR) 2000-03-22 EP disclosed
US-5880296-A RACEMIC MIXTURE IS RESOLVED BY SELECTIVE CRYSTALLIZATION WITH THE APPROPRIATE OPTICALLY PURE ENANTIOMER OF 2-PHENYLGLYCINOL; ANTIDEPRESSANT, MIGRAINE DRUG SYNTHESIS PIERRE FABRE MEDICAMENT (FR) 1999-03-09 US disclosed
US-5880296-A RACEMIC MIXTURE IS RESOLVED BY SELECTIVE CRYSTALLIZATION WITH THE APPROPRIATE OPTICALLY PURE ENANTIOMER OF 2-PHENYLGLYCINOL; ANTIDEPRESSANT, MIGRAINE DRUG SYNTHESIS PIERRE FABRE MEDICAMENT (FR) 1999-03-09 US disclosed
EP-0824531-A1 METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN PIERRE FABRE MEDICAMENT (FR) 1998-02-25 EP disclosed
WO-1996035682-A1 METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN PIERRE FABRE MEDICAMENT (FR) 1996-11-14 WO disclosed