SCHEMBL6973706

SCHEMBL6973706

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ F10 P00742 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PPARG P37231 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CXCR1 P25024 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CXCR2 P25025 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
SCHEMBL6975862 0.87 RAF1 (0.42) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6978533 0.86 MEN1 (0.46) RAB9ANPC1SMN1; SMN2HTTF10
SCHEMBL6982573 0.84 F10 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL6984071 0.78 PPARG (0.45) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL6978109 0.72 PPARG (0.41) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL6973224 0.72 PPARA (0.43) ALDH1A1KMT2ALMNAPPARGPOLB
SCHEMBL6983394 0.69 PPARG (0.44) RAB9ANPC1ALDH1A1F10PRSS1
SCHEMBL1566439 0.69 LDHA (0.55) SMN1; SMN2ALDH1A1MEN1KMT2APPARG
SCHEMBL3763319 0.68 KDM4E (0.51) ALDH1A1PPARG
SCHEMBL13324879 0.67 KDM4E (0.55) ALDH1A1MEN1KMT2ALMNAPPARG

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