SCHEMBL31036366

SCHEMBL31036366

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.66
ACE P12821 4/20 0.62
ITGB2 P05107 5/20 0.61
ICAM1 P05362 5/20 0.61
ITGAL P20701 5/20 0.61
ERAP2 Q6P179 2/20 0.60
PPARG P37231 1/20 0.60
P2RY14 Q15391 1/20 0.60
TP53 P04637 1/20 0.60
POLB P06746 1/20 0.60
ECE1 P42892 1/20 0.58

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
SCHEMBL28063888 0.93 ALOX15 (0.64) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL16892772 0.90 ALOX15 (0.65) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL29580749 0.90 ALOX15 (0.65) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL31520113 0.89 ACE (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL19051476 0.89 ACE (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL4270030 0.87 ERAP2 (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL11382213 0.87 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL11382215 0.87 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL11271279 0.86 ACE (0.68) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL28401652 0.86 ALOX15 (0.69) ALOX15ACEITGB2ICAM1ITGAL

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
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed