SCHEMBL20032534

SCHEMBL20032534

CCCc1cc(O)nc(CC(CCC(=O)OCc2ccccc2)NCC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CCKBR P32239 2/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
CTRB1 P17538 2/20 0.34
CASP1 P29466 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC3 O15438 1/20 0.34
NR1I2 O75469 1/20 0.34

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
SCHEMBL19214757 0.82 SIGMAR1 (0.33)
SCHEMBL20661457 0.77 MEN1 (0.43) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL20032530 0.73 TAS1R3 (0.34) KMT2A
SCHEMBL20032533 0.65 LNPEP (0.36) TSHRMAPK1CYP3A4PPARA
SCHEMBL19960 0.65 ALDH1A1 (0.63) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL1870004 0.65 ALDH1A1 (0.63) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL25836069 0.65 CTSB (0.47) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL21319327 0.65 ALDH1A1 (0.51) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL13880234 0.65 ALDH1A1 (0.51) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL7878024 0.64 ALDH1A1 (0.54) TSHRMEN1KMT2AALDH1A1HPGD

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed