SCHEMBL20032018

SCHEMBL20032018

CN(c1ccccc1C(=O)O)c1ccccc1C(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HDAC8 Q9BY41 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
PTPN1 P18031 3/20 0.38
MASP2 O00187 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL18158039 0.86 ALDH1A1 (0.56) ALDH1A1ALOX15MAPTGAATSHR
SCHEMBL29698615 0.77 MYC (0.49) ALDH1A1ALOX15MAPTGAATSHR
SCHEMBL4249310 0.77 ALDH1A1 (0.50) ALDH1A1ALOX15MAPTGAATSHR
SCHEMBL19214712 0.77 PTPN1 (0.50) ALDH1A1ALOX15MAPTGAATSHR
SCHEMBL2176015 0.76 ALDH1A1 (0.59) ALDH1A1ALOX15MAPTGAASMN1; SMN2
SCHEMBL15240 0.74 ALDH1A1 (0.72) ALDH1A1ALOX15MAPTGAATSHR
Phthalic Acid SCHEMBL25407447 0.72 ALDH1A1 (0.69) ALDH1A1ALOX15MAPTGAATSHR
Water SCHEMBL11574791 0.72 ALDH1A1 (0.69) ALDH1A1ALOX15MAPTGAATSHR
Hydrochloric Acid SCHEMBL1980339 0.72 ALDH1A1 (0.69) ALDH1A1ALOX15MAPTGAATSHR
SCHEMBL4217683 0.72 ALDH1A1 (0.69) ALDH1A1ALOX15MAPTGAATSHR

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