SCHEMBL16834384

SCHEMBL16834384

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 12/20 0.74
ICAM1 P05362 12/20 0.74
ITGAL P20701 12/20 0.74
ALDH1A1 P00352 1/20 0.66
POLB P06746 1/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
ERAP2 Q6P179 1/20 0.65
ALOX15 P16050 1/20 0.65
ACE P12821 1/20 0.64
BBOX1 O75936 2/20 0.64

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
SCHEMBL15145360 0.93 ITGB2 (0.74) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL30081478 0.90 ITGB2 (0.74) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL15145376 0.89 ITGB2 (0.67) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL11868630 0.88 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL1358031 0.88 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL11869604 0.88 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL1358036 0.88 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL15780958 0.88 ITGB2 (0.79) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL11869919 0.88 ITGB2 (0.80) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL12063160 0.88 ITGB2 (0.71) ITGB2ICAM1ITGALALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015092412-A1 CHEMICAL COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-06-25 WO disclosed
WO-2015092412-A1 CHEMICAL COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-06-25 WO disclosed