SCHEMBL11037758

SCHEMBL11037758

N[C@@H](CCC(=O)O)C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ FNTA P49354 1/20 0.53
▸ FNTB P49356 1/20 0.53
▸ PGGT1B P53609 1/20 0.53
▸ LTA4H P09960 2/20 0.52
▸ S1PR1 P21453 1/20 0.50
▸ S1PR3 Q99500 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MEP1B Q16820 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL11037760 1.00 CASR (0.56) CASRALDH1A1FNTAFNTBPGGT1B
SCHEMBL11037765 0.90 CASR (0.55) CASRALDH1A1FNTAFNTBPGGT1B
SCHEMBL2522626 0.84 LTA4H (0.68) LTA4HS1PR1S1PR3L3MBTL1
SCHEMBL20243040 0.84 LTA4H (0.68) LTA4HS1PR1S1PR3L3MBTL1
SCHEMBL11038421 0.82 LTA4H (0.60) ALDH1A1FNTAFNTBPGGT1BLTA4H
SCHEMBL7902676 0.82 LTA4H (0.60) ALDH1A1FNTAFNTBPGGT1BLTA4H
SCHEMBL27981283 0.81 LTA4H (0.66) CASRLTA4HMEN1KMT2ANPC1
SCHEMBL177182 0.81 LTA4H (0.66) CASRLTA4HMEN1KMT2ANPC1
SCHEMBL7289933 0.81 ALDH1A1 (0.56) CASRALDH1A1FNTAFNTBPGGT1B
SCHEMBL7289943 0.81 ALDH1A1 (0.56) CASRALDH1A1FNTAFNTBPGGT1B

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-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 — — EP disclosed
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