SCHEMBL11265752

SCHEMBL11265752

CC(C)NC(=O)C(O)COc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR88 Q9GZN0 1/20 0.42

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
Chlorobenzene SCHEMBL11183837 0.90 MTNR1A (0.51) MEN1KMT2AALDH1A1RAB9APPARG
SCHEMBL11263878 0.84 MTNR1A (0.58) GPR88
SCHEMBL11265589 0.82 CYP1A2 (0.49) MEN1KMT2AALDH1A1RAB9ACYP1A2
SCHEMBL1548918 0.80 PPARG (0.59) MEN1KMT2AALDH1A1RAB9ACYP1A2
SCHEMBL11255765 0.80 PPARG (0.47) MEN1KMT2AALDH1A1RAB9ACYP1A2
SCHEMBL8248742 0.76 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL5360069 0.76 CYP1A2 (0.64) MEN1KMT2ACYP1A2PPARGPPARA
SCHEMBL21895800 0.76 PPARA (0.58) MEN1KMT2AALDH1A1RAB9ACYP1A2
SCHEMBL28619870 0.76 PPARA (0.58) MEN1KMT2AALDH1A1RAB9ACYP1A2
SCHEMBL1305299 0.76 PPARA (0.58) MEN1KMT2AALDH1A1RAB9ACYP1A2

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-0008973-B1 A PROCESS FOR PREPARING PHENOXYLACTIC ACIDS AND THEIR DERIVATIVES, AND PRODUCTS OBTAINED SUCRERIES DU SOISSONNAIS ET COMPAGNIE SUCRIERE Société anonyme dite: (FR) 1982-09-29 EP claimed
US-4332959-A STARTING WITH PHENOXYACETALDEHYDE AND ALKALI METAL CYANIDE SUCRERIES DU SOISSONNAIS ET COMPAGNIE SUCRIERE (FR) 1982-06-01 US disclosed