SCHEMBL28175221

SCHEMBL28175221

CCS(=O)(=O)c1c(Br)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
PRNP P04156 1/20 0.42
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.40
CA12 O43570 4/20 0.40
CA9 Q16790 4/20 0.40
FABP4 P15090 1/20 0.39
PSIP1 O75475 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CLCN2 P51788 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 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
SCHEMBL3642592 0.87 ALOX15 (0.58) ALOX15TSHRSMN1; SMN2ALDH1A1CA12
SCHEMBL26124969 0.82 ALOX15 (0.53) ALOX15PRNPTSHRALDH1A1CA12
SCHEMBL28005652 0.82 PLK1 (0.42) SMN1; SMN2ALDH1A1HPGD
SCHEMBL27999104 0.80 ALOX15 (0.50) ALOX15PRNPSMN1; SMN2ALDH1A1CA12
SCHEMBL29286648 0.79 TSHR (0.52) ALOX15TSHRSMN1; SMN2ALDH1A1CA12
SCHEMBL29411275 0.73 PLCG1 (0.38) PSIP1TDP1CA1CA2CA4
SCHEMBL30281081 0.73 PRNP (0.46) ALOX15PRNPTSHRSMN1; SMN2ALDH1A1
SCHEMBL1400049 0.73 PRNP (0.46) ALOX15PRNPTSHRSMN1; SMN2ALDH1A1
SCHEMBL11798778 0.72 ALOX15 (0.50) ALOX15SMN1; SMN2ALDH1A1CA12CA9
SCHEMBL28130994 0.72 PRNP (0.42) ALOX15PRNPTSHRALDH1A1CA12

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
CN-107074846-A Harmful organism active heterocycles derivative is killed with sulfur-bearing substituent 先正达参股股份有限公司 2017-08-18 CN disclosed