SCHEMBL19158403

SCHEMBL19158403

Cc1cc2c(c(C)c1C(=O)NC(CN/C(=N\C#N)N1CCCC1)C(=O)O)CCN(C(=O)c1cc3ccccc3o1)C2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 16/20 0.54
▸ ICAM1 P05362 16/20 0.54
▸ ITGAL P20701 16/20 0.54
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PIN1 Q13526 1/20 0.37

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
SCHEMBL19157704 0.91 ITGB2 (0.51) ITGB2ICAM1ITGALALDH1A1HPGD
SCHEMBL25912568 0.90 ITGB2 (0.43) ITGB2ICAM1ITGAL
SCHEMBL16270926 0.89 ITGB2 (0.55) ITGB2ICAM1ITGALMAPTPOLB
SCHEMBL4756057 0.88 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL13813582 0.88 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL22296813 0.88 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL4756084 0.82 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL23992593 0.81 ITGB2 (0.64) ITGB2ICAM1ITGAL
SCHEMBL25912527 0.81 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL12169796 0.81 ITGB2 (0.65) 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-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 — — EP disclosed
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