SCHEMBL19157704

SCHEMBL19157704

Cc1cc2c(c(C)c1C(=O)NC(CN/C(=N\C#N)N1CCC(C)C1)C(=O)O)CCN(C(=O)c1cc3ccccc3o1)C2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 17/20 0.51
▸ ICAM1 P05362 17/20 0.51
▸ ITGAL P20701 17/20 0.51
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIN1 Q13526 1/20 0.38

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
SCHEMBL19158403 0.91 ITGB2 (0.54) ITGB2ICAM1ITGALALDH1A1HPGD
SCHEMBL23153603 0.90 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL16270942 0.83 ITGB2 (0.50) ITGB2ICAM1ITGALRAB9ANPC1
SCHEMBL18868110 0.83 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL12169799 0.83 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL4756084 0.83 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL17991464 0.82 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL13894279 0.82 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL17991445 0.82 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL25912568 0.81 ITGB2 (0.43) 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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