SCHEMBL11242882

SCHEMBL11242882

CC(=O)[C@@H](C)Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
ACACB O00763 1/20 0.51
SLC6A4 P31645 1/20 0.47
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
BRD4 O60885 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
FPR2 P25090 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL13235901 1.00 SLC6A2 (0.53) SLC6A2SLC6A3ACACBSLC6A4PPARG
SCHEMBL13235858 0.90 PPARA (0.54) SLC6A2SLC6A3ACACBPPARGPPARA
SCHEMBL9293068 0.89 ESR1 (0.48) SLC6A2LMNAESR1ESR2CYP3A4
SCHEMBL11145872 0.84 SLC6A2 (0.53) SLC6A2SLC6A3ACACBSLC6A4PPARG
SCHEMBL4666677 0.84 PPARG (0.54) SLC6A2SLC6A3ACACBSLC6A4PPARG
SCHEMBL2555902 0.84 PPARG (0.54) SLC6A2SLC6A3ACACBSLC6A4PPARG
SCHEMBL4666674 0.84 PPARG (0.54) SLC6A2SLC6A3ACACBSLC6A4PPARG
SCHEMBL27556529 0.83 SLC6A2 (0.57) SLC6A2SLC6A3ACACBSLC6A4PPARG
SCHEMBL3773871 0.83 SLC6A2 (0.52) SLC6A2SLC6A3ACACBSLC6A4PPARG
SCHEMBL9875052 0.82 SLC6A2 (0.52) SLC6A2SLC6A3ACACBSLC6A4PPARG

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
CN-118791526-A Chiral aryl phosphine-oxazoline functionalized porous organic polymer and preparation and application thereof 浙江工业大学 2024-10-18 CN disclosed
US-4356024-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-10-26 US disclosed