SCHEMBL6557650

SCHEMBL6557650

CC(C)(NC(=O)OCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NR4A2 P43354 2/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
RXRG P48443 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CTSS P25774 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.44
SRD5A2 P31213 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL6558932 0.89 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL14349181 0.89 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL6182357 0.86 AAK1 (0.50) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL14375579 0.86 MEN1 (0.50) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL15362812 0.83 MEN1 (0.52) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL6558153 0.82 POLB (0.62) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL5988158 0.82 PLAU (0.48) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL5673104 0.81 HPGD (0.53) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL27475998 0.80 KDM4E (0.49) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL31247417 0.79 P2RX7 (0.47) SMN1; SMN2KMT2AMEN1RAB9ANPC1

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
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed