SCHEMBL29615190

SCHEMBL29615190

CC(=O)NCCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.60
▸ SLC6A5 Q9Y345 1/20 0.60
▸ QPCT Q16769 1/20 0.56
▸ QPCTL Q9NXS2 1/20 0.56
▸ ITGB2 P05107 3/20 0.55
▸ ICAM1 P05362 3/20 0.55
▸ ITGAL P20701 3/20 0.55
▸ SLC15A2 Q16348 1/20 0.50
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ AGTR2 P50052 1/20 0.45
▸ F2 P00734 2/20 0.44
▸ PRSS1 P07477 2/20 0.44
▸ PRSS2 P07478 2/20 0.44
▸ PRSS3 P35030 2/20 0.44

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
SCHEMBL27675779 1.00 EPHX2 (0.60) EPHX2SLC6A5QPCTQPCTLITGB2
SCHEMBL3057446 1.00 EPHX2 (0.60) EPHX2SLC6A5QPCTQPCTLITGB2
SCHEMBL18381375 0.93 EPHX2 (0.67) EPHX2SLC6A5QPCTQPCTLITGB2
SCHEMBL28459868 0.92 SLC15A2 (0.53) EPHX2SLC6A5QPCTQPCTLITGB2
SCHEMBL23787478 0.88 QPCT (0.53) EPHX2SLC6A5QPCTQPCTLITGB2
SCHEMBL23787348 0.88 QPCT (0.53) EPHX2SLC6A5QPCTQPCTLITGB2
SCHEMBL18676311 0.88 SLC6A5 (0.59) EPHX2SLC6A5QPCTQPCTLITGB2
SCHEMBL16364167 0.88 SLC6A5 (0.62) EPHX2SLC6A5ITGB2ICAM1ITGAL
SCHEMBL15412853 0.88 EPHX2 (0.49) EPHX2SLC6A5QPCTQPCTLITGB2
SCHEMBL20384898 0.88 EPHX2 (0.49) EPHX2SLC6A5QPCTQPCTLITGB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4260070-A1 DIAGNOSIS OF AUTISM SPECTRUM DISORDER Stalicla S.A. (CH) 2023-10-18 — — EP disclosed
WO-2022123057-A1 DIAGNOSIS OF AUTISM SPECTRUM DISORDER STALICLA SA (CH) 2022-06-16 — — WO disclosed
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