SCHEMBL21623657

SCHEMBL21623657

O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cc(F)cc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 12/20 1.00
▸ ICAM1 P05362 12/20 1.00
▸ ITGAL P20701 12/20 1.00
▸ ERAP2 Q6P179 1/20 0.71
▸ ACE P12821 3/20 0.64
▸ ALOX15 P16050 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HPGD P15428 1/20 0.59

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
SCHEMBL21623656 1.00 ITGB2 (1.00) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL11874268 0.90 ITGB2 (0.81) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL23092632 0.90 ITGB2 (0.81) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL9466705 0.88 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL5259129 0.88 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL30616778 0.88 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL5191302 0.88 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL22206878 0.87 ITGB2 (0.77) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL22206876 0.87 ITGB2 (0.77) ITGB2ICAM1ITGALERAP2ACE
SCHEMBL7402984 0.86 ITGB2 (0.76) ITGB2ICAM1ITGALERAP2ACE

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
WO-2020014726-A1 TREATMENT FOR LIVER REGENERATION XENEXUS PHARMACEUTICALS PTY. LTD. (AU) 2020-01-23 — — WO disclosed
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