SCHEMBL28042320

SCHEMBL28042320

CCCCCCc1c(C(=O)OO)ccc(N)c1C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
TSHR P16473 2/20 0.38
CES2 O00748 2/20 0.38

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
SCHEMBL28169033 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EPOLBLMNA
SCHEMBL22410728 0.83 TSHR (0.44) ALDH1A1HSD17B10KDM4EPOLBLMNA
SCHEMBL1963286 0.80 MAPT (0.45) ALDH1A1HSD17B10KDM4EPOLBMAPT
SCHEMBL994989 0.79 BID (0.43) HSD17B10KDM4EMAPTPPARAPPARG
SCHEMBL18395145 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EPOLBLMNA
Diethylamine SCHEMBL18304688 0.78 PTPN1 (0.40) ALDH1A1KDM4ELMNAMAPTCYP3A4
SCHEMBL1734363 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4EPOLBLMNA
SCHEMBL39503 0.75 KAT8 (0.44) PPARAPPARG
SCHEMBL28106933 0.74 KAT8 (0.41) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL29067602 0.74 CES2 (0.45) ALDH1A1HSD17B10KDM4ELMNAMAPT

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-107847422-A Include the acrylic acid of palkoxy benzene base substitution(APP)The stable composition of the light of copolymer derivative 浩思特创新科技公司 2018-03-27 CN disclosed
CN-105228578-A Resin powder body containing ultraviolet scattering diluent and manufacture method thereof and cosmetic DAICEL EVONIK LTD 2016-01-06 CN disclosed