SCHEMBL6982728

SCHEMBL6982728

Cc1ccccc1NC(=O)Nc1ccc(OCC(=O)O)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 3/20 0.58
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ITGB1 P05556 4/20 0.53
ITGB3 P05106 1/20 0.53
ITGAV P06756 1/20 0.53
ITGA5 P08648 1/20 0.53
ITGA4 P13612 3/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
ALOX5 P09917 2/20 0.49
EPHX2 P34913 2/20 0.49
IMPDH2 P12268 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL6971221 0.86 RAB9A (0.55) DDX3XALDH1A1ITGB1ITGB3ITGAV
SCHEMBL6979953 0.84 DDX3X (0.57) DDX3XALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL6973229 0.83 MAPT (0.59) DDX3XALDH1A1SMN1; SMN2ITGB1ITGB3
SCHEMBL10814720 0.80 HPGD (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL17079628 0.78 MEN1 (0.71) DDX3XALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL6106511 0.77 TDP1 (0.51) ALDH1A1POLBPPARGPPARD
SCHEMBL5309963 0.76 KMT2A (0.58) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL1659299 0.75 DDX3X (1.00) DDX3XALDH1A1LMNASMN1; SMN2ITGB1
SCHEMBL11918074 0.75 DDX3X (1.00) DDX3XALDH1A1LMNASMN1; SMN2ITGB1
SCHEMBL812756 0.74 DDX3X (0.80) DDX3XALDH1A1LMNASMN1; SMN2ITGB1

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