SCHEMBL10698784

SCHEMBL10698784

COCCOC(=O)c1c(SC)ccc(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.37
HSD17B10 Q99714 4/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 2/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL9079096 0.88 ALDH1A1 (0.44) TSHRALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL20448248 0.86 CA12 (0.44) TSHRALDH1A1GAARAB9ALMNA
SCHEMBL8489186 0.83 L3MBTL1 (0.40) TSHRALDH1A1GAARAB9ALMNA
SCHEMBL24886348 0.78 HPGD (0.41) TSHRALDH1A1GAARAB9ALMNA
SCHEMBL27777699 0.77 CYP1A2 (0.38) TSHRALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL9077760 0.77 TSHR (0.44) TSHRALDH1A1GAARAB9ALMNA
SCHEMBL8491796 0.76 CA12 (0.42) ALDH1A1GAALMNAHSD17B10HPGD
SCHEMBL6981482 0.73 KDM4E (0.39) TSHRALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL9076022 0.73 KDM5A (0.36) TSHRALDH1A1GAARAB9ALMNA
SCHEMBL9078843 0.72 TSHR (0.47) TSHRALDH1A1GAARAB9ALMNA

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
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP disclosed