SCHEMBL9042143

SCHEMBL9042143

O=C(O)C(=O)c1ccc(OCCOc2ccc3ccncc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.55
PTPRC P08575 4/20 0.48
PTPN1 P18031 4/20 0.48
PTPRF P10586 1/20 0.48
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
CPT1B Q92523 1/20 0.46
PTPN2 P17706 1/20 0.46
PORCN Q9H237 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
RAB9A P51151 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
SCHEMBL9040494 0.88 MRGPRX4 (0.48) MRGPRX4PTPRCPTPN1PTPRFPTPN2
SCHEMBL9041398 0.86 MRGPRX4 (0.49) MRGPRX4PORCNCYP3A4KMT2ANAMPT
SCHEMBL9041370 0.83 CPT2 (0.63) MRGPRX4PTPRCPTPN1PTPRFCPT2
SCHEMBL9042329 0.82 CPT2 (0.61) MRGPRX4PTPRCPTPN1PTPRFCPT2
SCHEMBL9042323 0.82 CPT2 (0.61) MRGPRX4PTPRCPTPN1PTPRFCPT2
SCHEMBL9043842 0.79 PTPRC (0.58) PTPRCPTPN1PTPRFCPT2CPT1A
SCHEMBL9041623 0.79 CPT2 (0.58) MRGPRX4PTPRCPTPN1PTPRFCPT2
SCHEMBL9041609 0.79 CPT2 (0.58) MRGPRX4PTPRCPTPN1PTPRFCPT2
SCHEMBL9043116 0.79 KDM4E (0.57) PTPRCPTPN1PTPRFCPT2CPT1A
SCHEMBL9043540 0.78 PTPRC (0.69) PTPRCPTPN1PTPRFCPT1BPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed