SCHEMBL9462002

SCHEMBL9462002

CC(c1ccccc1)[C@@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.60
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
GPR132 Q9UNW8 1/20 0.53
LMNA P02545 3/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
HDAC1 Q13547 1/20 0.50
CTRB1 P17538 1/20 0.50
MME P08473 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR139 Q6DWJ6 1/20 0.49
RAB9A P51151 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
SCHEMBL9461816 1.00 SLC1A2 (0.60) SLC1A2PPARGPPARAGPR132LMNA
SCHEMBL9461814 1.00 SLC1A2 (0.60) SLC1A2PPARGPPARAGPR132LMNA
SCHEMBL5580937 0.91 SLC1A2 (0.54) SLC1A2PPARGPPARAGPR132LMNA
SCHEMBL9829118 0.89 NPC1 (0.56) SLC1A2PPARGPPARAGPR132LMNA
SCHEMBL9829127 0.89 NPC1 (0.56) SLC1A2PPARGPPARAGPR132LMNA
SCHEMBL22338822 0.85 GAA (0.51) SLC1A2PPARGPPARALMNAHPGD
SCHEMBL22303090 0.85 GAA (0.51) SLC1A2PPARGPPARALMNAHPGD
SCHEMBL22304180 0.85 GAA (0.51) SLC1A2PPARGPPARALMNAHPGD
SCHEMBL22303089 0.85 GAA (0.51) SLC1A2PPARGPPARALMNAHPGD
SCHEMBL1168553 0.84 SLC1A2 (0.66) SLC1A2PPARGPPARALMNAHPGD

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
US-5219731-A Cleaving an oxazolone precursor with lipase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-15 US disclosed