SCHEMBL10986368

SCHEMBL10986368

CN1c2ccc(C(=O)O)cc2Sc2cc(C(=O)O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 8/20 0.60
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MYC P01106 4/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PTPN7 P35236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL10331860 0.87 NOX1 (0.52) NOX1LMNAL3MBTL1MAPTMAPK1
SCHEMBL31180053 0.81 POLB (0.51) NOX1LMNAMAPTALDH1A1POLB
SCHEMBL29871122 0.79 HDAC6 (0.49) NOX1L3MBTL1MAPTTDP1ALDH1A1
SCHEMBL28538516 0.79 HDAC6 (0.49) NOX1L3MBTL1MAPTTDP1ALDH1A1
SCHEMBL16492910 0.78 NOX1 (0.83) NOX1LMNAL3MBTL1MAPTMAPK1
SCHEMBL25028330 0.77 HCAR3 (0.46) ALDH1A1HSD17B10
SCHEMBL12106079 0.76 TSHR (0.50) LMNAL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL68522 0.76 TSHR (0.50) LMNAL3MBTL1MAPTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL28973305 0.74 TSHR (0.48) LMNAL3MBTL1MAPTMAPK1TDP1
SCHEMBL9813254 0.73 NOX1 (0.57) NOX1LMNAL3MBTL1MAPTMAPK1

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
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
US-4505841-A DOPES; WORKABILITY; REVERSIBLE CHEVRON RESEARCH COMPANY (US) 1985-03-19 US disclosed