SCHEMBL10465166

SCHEMBL10465166

NCCN(C(C(=O)O)c1ccc(O)cc1)C(C(=O)O)c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
HTR3A P46098 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
HIF1A Q16665 2/20 0.40
SRC P12931 1/20 0.40
SLC7A5 Q01650 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALOX15 P16050 2/20 0.39
APEX1 P27695 1/20 0.39
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
CYP2C19 P33261 3/20 0.34
SLC6A2 P23975 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ADRA2A P08913 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTR1A P08908 1/20 0.34
BACE1 P56817 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
SCHEMBL157144 0.73 TSHR (0.37) TAAR1TSHRSLC7A5KDM4EALOX15
SCHEMBL1960706 0.72 SRC (0.46) SRCSLC7A5TDP1ALOX15CYP2C19
SCHEMBL10933400 0.72 SRC (0.46) SRCSLC7A5TDP1ALOX15CYP2C19
SCHEMBL5813300 0.69 ESR1 (0.44) TSHRNFKB1SRCSLC7A5TDP1
SCHEMBL2799841 0.69 ALDH1A1 (0.44) SRCTDP1KDM4ESLC6A2ALDH1A1
SCHEMBL487951 0.69 LMNA (0.43) TSHRNFKB1HIF1ATDP1KDM4E
SCHEMBL1118743 0.68 TAAR1 (0.52) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL1118667 0.68 TAAR1 (0.52) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL4663927 0.68 KMT2A (0.35) SLC7A5TDP1ALDH1A1L3MBTL1LMNA
SCHEMBL2981569 0.68 GRM8 (0.42) SRCSLC7A5TDP1ALOX15GRM8

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-4925777-A Direct positives FUJI PHOTO FILM CO., LTD. (JP) 1990-05-15 US disclosed