SCHEMBL16270926

SCHEMBL16270926

N#C/N=C(/NC[C@H](NC(=O)c1c(O)cc2c(c1O)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 15/20 0.55
▸ ICAM1 P05362 15/20 0.55
▸ ITGAL P20701 15/20 0.55
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PIN1 Q13526 1/20 0.38
▸ GRIN2B Q13224 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
SCHEMBL4756057 0.89 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL19158403 0.89 ITGB2 (0.54) ITGB2ICAM1ITGALMAPTPOLB
SCHEMBL16270942 0.89 ITGB2 (0.50) ITGB2ICAM1ITGALALDH1A1HPGD
SCHEMBL22296813 0.89 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL13813582 0.89 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL16270927 0.83 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL23992593 0.82 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL4756084 0.82 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL4755948 0.81 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL17992523 0.81 ITGB2 (0.66) ITGB2ICAM1ITGAL

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
EP-1881823-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF EYE DISORDERS SARCODE BIOSCIENCE INC (US) 2014-12-03 — — EP disclosed
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