SCHEMBL8711005

SCHEMBL8711005

COc1cc(NC(=O)OCc2ccccc2)c(Cl)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47

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
SCHEMBL9872943 0.92 POLB (0.71) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL8708189 0.91 POLB (0.57) POLBNPC1RAB9AKMT2AMEN1
Imidazole SCHEMBL9873212 0.88 POLB (0.48) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL3028929 0.85 NPC1 (0.54) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL10489859 0.85 KDM4E (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9873218 0.82 POLB (0.48) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL6844761 0.80 POLB (0.58) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL9872897 0.78 POLB (0.49) POLBKCNH2DRD4DRD3
SCHEMBL9872901 0.78 POLB (0.49) POLBKCNH2DRD4DRD3
SCHEMBL8366392 0.78 KDM4E (0.43) POLBNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783702-A Preparation of cisapride TORCAN CHEMICAL LTD. (CA) 1998-07-21 US disclosed
US-5665884-A Preparation of cisapride TORCAN CHEMICAL LTD. (CA) 1997-09-09 US disclosed
US-5585387-A Prepration of cisapride TORCAN CHEMICAL LTD. (CA) 1996-12-17 US disclosed
WO-1996011186-A1 PREPARATION OF CISAPRIDE TORCAN CHEMICAL LTD. (CA) 1996-04-18 WO disclosed
US-5017582-A Analgesics SANDOZ LTD. (CH) 1991-05-21 US disclosed
US-4910207-A Antipsychotic agent NOVARTIS AG (CH) 1990-03-20 US disclosed
US-4803199-A SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS NOVARTIS AG (CH) 1989-02-07 US disclosed
WO-1984000166-A1 BENZOIC ACID PIPERIDYL ESTER DERIVATIVES AND METHOD OF PRODUCTION AND UTILIZATION THEREOF SANDOZ AG (CH) 1984-01-19 WO disclosed