SCHEMBL23967346

SCHEMBL23967346

COC(=O)C(CC(=O)O)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP26A1 O43174 1/20 0.50
CYCS P99999 1/20 0.49
CTSL P07711 1/20 0.49
CASP1 P29466 1/20 0.48
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL29067682 0.89 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL13868571 0.89 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL4896289 0.89 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL20740123 0.89 CTSL (0.50) GAALMNACTSLCASP1CA2
SCHEMBL20875154 0.89 CTSL (0.50) GAALMNACTSLCASP1CA2
SCHEMBL4896298 0.88 NPC1 (0.53) GAARAB9AALDH1A1LMNAKMT2A
SCHEMBL10024019 0.85 GAA (0.56) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3679721 0.85 RAB9A (0.59) GAARAB9AALDH1A1LMNAGLA
SCHEMBL5672076 0.85 GAA (0.56) GAARAB9AALDH1A1LMNAGLA
SCHEMBL9138628 0.85 GAA (0.63) 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-3904446-A1 NUCLEATING AGENT FOR POLYOLEFIN RESIN, NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN CONTAINING SAME, MASTER BATCH FOR POLYOLEFIN RESIN, POLYOLEFIN RESIN COMPOSITION, MOLDED ARTICLE THEREOF, FILM THEREOF, METHOD FOR PRODUCING POROUS FILM, AND PACKAGE ADEKA CORPORATION (JP) 2021-11-03 EP disclosed