SCHEMBL8432276

SCHEMBL8432276

CC(C)OC(=O)N(N)[C@](C(=O)O)(C(=C=O)c1ccccc1)c1cccc(NC2=NC(=O)CN2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGB5 P18084 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
PDE4B Q07343 1/20 0.30

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
SCHEMBL8430960 0.78 MAPT (0.35) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL8432442 0.72 HPGD (0.36) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL8431423 0.69 DHODH (0.34) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL8431235 0.69 RXFP1 (0.32) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8431494 0.68 NPC1 (0.34) MAPTNPC1HTTRAB9A
SCHEMBL8432437 0.68 RXFP1 (0.38) MAPT
SCHEMBL8429055 0.67 TRPV4 (0.35) MAPT
SCHEMBL8432441 0.66 KMT2A (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL7456078 0.64 ITGB3 (0.59) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL8431435 0.64 CA1 (0.32) MAPTNPC1HTTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed