SCHEMBL6982573

SCHEMBL6982573

NC(=O)Nc1ccc(C(Oc2ccccc2)C(=O)O)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.45
▸ PRSS1 P07477 2/20 0.45
▸ F2 P00734 1/20 0.44
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PPARG P37231 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ CXCR1 P25024 1/20 0.36

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
SCHEMBL6983394 0.84 PPARG (0.44) F10PRSS1F2RAB9ANPC1
SCHEMBL6973224 0.84 PPARA (0.43) PPARGALDH1A1KMT2AMAPTLMNA
SCHEMBL6973706 0.84 RAB9A (0.44) F10PRSS1F2RAB9ANPC1
SCHEMBL6979803 0.76 PPARG (0.45) SMN1; SMN2PPARGALDH1A1KMT2AMAPT
SCHEMBL1566439 0.74 LDHA (0.55) SMN1; SMN2PPARGALDH1A1MEN1KMT2A
SCHEMBL3763319 0.72 KDM4E (0.51) PPARGALDH1A1KDM4E
SCHEMBL6982722 0.72 KEAP1 (0.45) F10RAB9ANPC1PPARGALDH1A1
SCHEMBL13324879 0.71 KDM4E (0.55) PPARGALDH1A1MEN1KMT2AKDM4E
SCHEMBL21881586 0.71 KDM4E (0.55) PPARGALDH1A1MEN1KMT2AKDM4E
SCHEMBL660871 0.71 KDM4E (0.55) PPARGALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 — — EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 — — US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 — — EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 — — WO disclosed
Send feedback