SCHEMBL11265589

SCHEMBL11265589

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR88 Q9GZN0 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL11297938 0.86 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1GPR88
SCHEMBL11266612 0.86 USP2 (0.44) CYP1A2MEN1KMT2AMAPTALDH1A1
SCHEMBL11303985 0.84 CYP2D6 (0.56) MAPTGPR88CYP2D6LMNANPC1
SCHEMBL11265752 0.82 MEN1 (0.49) CYP1A2PPARAPPARGMEN1KMT2A
SCHEMBL1548918 0.80 PPARG (0.59) CYP1A2PPARAPPARGMEN1KMT2A
SCHEMBL5360069 0.76 CYP1A2 (0.64) CYP1A2PPARAPPARGMEN1KMT2A
SCHEMBL11294082 0.75 PPARG (0.47) PPARAPPARGMAPTNPSR1
SCHEMBL11511695 0.74 MAOB (0.52) MEN1KMT2ARAB9AMAPK1LMNA
Pivalate SCHEMBL11703008 0.74 LMNA (0.54) CYP1A2PPARAPPARGMEN1KMT2A
SCHEMBL11346808 0.74 CYP2D6 (0.72) MEN1KMT2AMAPTCYP2D6

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