SCHEMBL4331833

SCHEMBL4331833

COc1ccc(NC(=O)OCCc2cc(CC(C(=O)O)C(=O)O)ccc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
PPARA Q07869 2/20 0.44
FPR2 P25090 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
PPARD Q03181 1/20 0.41

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
SCHEMBL13810397 0.94 TP53 (0.47) LDHALMNATP53HIF1ANPSR1
SCHEMBL4331610 0.92 LDHA (0.50) LDHALMNATP53NPSR1PPARA
SCHEMBL4334960 0.91 NPSR1 (0.55) LDHALMNATP53HIF1ANPSR1
SCHEMBL4329956 0.91 CNR1 (0.49) LDHANPSR1PPARAFPR2KMT2A
SCHEMBL4334358 0.89 LDHA (0.52) LDHALMNATP53HIF1AKDM4E
SCHEMBL4339140 0.89 MTNR1B (0.47) LDHALMNATP53NPSR1KMT2A
SCHEMBL4333076 0.88 LMNA (0.45) LMNATP53HIF1ANPSR1KDM4E
SCHEMBL4337850 0.88 PPARA (0.59) LDHAPPARAPPARD
SCHEMBL13810393 0.86 NPSR1 (0.54) LDHALMNATP53HIF1ANPSR1
SCHEMBL13810395 0.85 EPHX2 (0.46) LDHANPSR1POLBPPARAKMT2A

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed