SCHEMBL28192545

SCHEMBL28192545

Cc1cc(CC(=O)O)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
TSHR P16473 3/20 0.47
NFKB1 P19838 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
GNAI1 P63096 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 4/20 0.45
SRD5A2 P31213 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL2283410 0.87 RXRA (0.53) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL23241569 0.86 RXRA (0.49) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL20045090 0.86 HPGD (0.47) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL11217379 0.84 KLKB1 (0.35) GAALMNASRD5A2MEN1KMT2A
SCHEMBL15862189 0.83 GAA (0.52) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL25564411 0.83 F10 (0.35) ALDH1A1RXRARXRBKLKB1
SCHEMBL20943235 0.81 ALDH1A1 (0.54) HPGDMAPTGAATSHRNFKB1
SCHEMBL969589 0.79 HPGD (0.55) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL4833201 0.79 KDM4E (0.47) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL4841378 0.79 CA2 (0.61) KDM4EHPGDHSD17B10MAPTGAA

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-107522634-A Biaryl ureas carboxylic acid derivates or its salt and its production and use 复旦大学 2017-12-29 CN disclosed