SCHEMBL7586015

SCHEMBL7586015

COC(=O)CCc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.59
▸ LMNA P02545 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ CTSL P07711 1/20 0.55
▸ ACE P12821 1/20 0.52
▸ ATM Q13315 2/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ HDAC1 Q13547 4/20 0.50
▸ HDAC6 Q9UBN7 4/20 0.50
▸ TSHR P16473 1/20 0.50
▸ LNPEP Q9UIQ6 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7586025 1.00 GAA (0.60) GAARAB9AALDH1A1LMNAGLA
SCHEMBL7586619 0.88 GAA (0.58) GAARAB9AALDH1A1LMNAGLA
SCHEMBL7586611 0.88 GAA (0.58) GAARAB9AALDH1A1LMNAGLA
SCHEMBL31206887 0.87 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL2461492 0.87 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL1793176 0.87 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL16515824 0.85 GAA (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL14733433 0.85 GAA (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3928164 0.84 LNPEP (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3928165 0.84 LNPEP (0.67) GAARAB9AALDH1A1LMNAGLA

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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