SCHEMBL28034591

SCHEMBL28034591

COc1cccc(C[C@H](O)CC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
CYP1A2 P05177 1/20 0.55
FFAR1 O14842 2/20 0.51
CTBP2 P56545 1/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BCHE P06276 1/20 0.49
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3170395 0.85 TAAR1 (0.59) TAAR1CYP1A2FFAR1CTBP2LMNA
SCHEMBL31619591 0.85 TAAR1 (0.59) TAAR1CYP1A2FFAR1CTBP2LMNA
SCHEMBL28009967 0.83 MTNR1A (0.55) TAAR1CYP1A2FFAR1
SCHEMBL3162828 0.82 TAAR1 (0.56) TAAR1CYP1A2FFAR1CTBP2LMNA
SCHEMBL1368547 0.81 TAAR1 (0.58) TAAR1CYP1A2CTBP2LMNAMEN1
SCHEMBL8953537 0.81 TAAR1 (0.58) TAAR1CYP1A2CTBP2LMNAMEN1
SCHEMBL28019828 0.81 TAAR1 (0.58) TAAR1CYP1A2CTBP2LMNAMEN1
SCHEMBL7511969 0.81 TAAR1 (0.58) TAAR1CYP1A2CTBP2LMNAMEN1
SCHEMBL9022613 0.81 TAAR1 (0.51) TAAR1CYP1A2FFAR1MEN1KMT2A
SCHEMBL6462909 0.81 LDHA (0.64) FFAR1

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
CN-105087683-A Method for producing (S)-methyl 3-methoxypropionate by use of cells UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN disclosed