SCHEMBL7758912

SCHEMBL7758912

O=C(CNC(=O)OCc1ccccc1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.64
RCOR1 Q9UKL0 1/20 0.64
RAB9A P51151 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL7315510 0.90 KDM1A (0.67) KDM1ARCOR1RAB9AKMT2AGAA
SCHEMBL7624965 0.89 KDM1A (0.67) KDM1ARCOR1RAB9AKMT2AGAA
SCHEMBL7687546 0.88 LMNA (0.57) KDM1ARCOR1RAB9AKMT2AGAA
SCHEMBL7758133 0.87 KDM1A (0.59) KDM1ARCOR1RAB9AKMT2AGAA
SCHEMBL11925397 0.86 KDM1A (0.64) KDM1ARCOR1RAB9AKMT2AGAA
SCHEMBL7761464 0.86 KMT2A (0.60) KDM1ARCOR1RAB9AKMT2AGAA
SCHEMBL3694153 0.86 POLB (0.68) KDM1ARCOR1RAB9AKMT2AGAA
SCHEMBL10542510 0.84 KMT2A (0.55) KDM1ARCOR1KMT2AGAALMNA
SCHEMBL9635671 0.84 POLB (0.74) KDM1ARCOR1LMNAHTTNPSR1
SCHEMBL7622075 0.83 KDM1A (0.60) KDM1ARCOR1RAB9AKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001062242-A1 PRODRUGS OF SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2001-08-30 WO disclosed
EP-0730591-B1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES UPJOHN CO (US) 1999-07-14 EP disclosed
US-5652238-A WATER SOLUBILITY; ANTIMICROBIAL AGENTS EFFECTIVE AGAINST RESISTANT STAPHYLOCOCCI, ENTEROCOCCI, AND STREPTOCOCCI PHARMACIA & UPJOHN COMPANY (US) 1997-07-29 US disclosed
EP-0730591-A1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1996-09-11 EP disclosed
WO-1995014684-A1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES THE UPJOHN COMPANY (US) 1995-06-01 WO disclosed