SCHEMBL8410221

SCHEMBL8410221

NCc1ccc(-c2ccc(C(=O)N3CCC(CC(=O)O)(CC(=O)O)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
FASN P49327 3/20 0.45
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A7 Q99884 2/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 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
SCHEMBL8410727 0.85 LOXL2 (0.43) HPGDMAPK1NOS1NOS2POLB
SCHEMBL8410502 0.84 ITGB3 (0.62) HPGDMAPK1FASNITGB3ITGA2B
Hydrochloric Acid SCHEMBL8407165 0.75 SMN1; SMN2 (0.50) HPGDMAPK1ITGB3ITGA2BSMN1; SMN2
SCHEMBL18765947 0.75 HPGD (0.62) HPGDMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL25710940 0.75 HPGD (0.68) HPGDMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL8410227 0.74 SMN1; SMN2 (0.51) HPGDMAPK1FASNPOLBSMN1; SMN2
SCHEMBL8407266 0.74 HPGD (0.46) HPGDMAPK1FASNPOLBSMN1; SMN2
SCHEMBL507164 0.74 HPGD (0.71) HPGDMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL19634422 0.73 MEN1 (0.49) MAPK1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8949438 0.73 ITGB3 (0.52) ITGB3ITGA2B

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
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed