SCHEMBL9243144

SCHEMBL9243144

Cc1ccc(S(=O)(=O)O)cc1CC=CF

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SNCA P37840 1/20 0.35
ALDH1A1 P00352 8/20 0.34
HSD17B10 Q99714 4/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NT5E P21589 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL11264013 0.86 ALDH1A1 (0.39) POLBSNCAALDH1A1HSD17B10LMNA
SCHEMBL10844145 0.84 POLB (0.36) POLBSNCAALDH1A1HSD17B10LMNA
SCHEMBL10596213 0.81 ALDH1A1 (0.41) SNCAALDH1A1HSD17B10LMNAGAA
SCHEMBL729517 0.81 POLB (0.57) POLBSNCAALDH1A1HSD17B10LMNA
SCHEMBL1807695 0.80 ALDH1A1 (0.40) POLBSNCAALDH1A1HSD17B10LMNA
SCHEMBL775810 0.79 TAAR1 (0.38) POLBSNCAALDH1A1HSD17B10LMNA
SCHEMBL10598218 0.78 SNCA (0.39) SNCAALDH1A1HSD17B10LMNAGAA
SCHEMBL776515 0.78 SNCA (0.39) SNCAALDH1A1HSD17B10LMNAGAA
SCHEMBL1607817 0.78 ALDH1A1 (0.41) SNCAALDH1A1HSD17B10LMNAGAA
SCHEMBL1804750 0.77 SNCA (0.38) SNCAALDH1A1HSD17B10LMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7041449-A None JP disclosed
JP-H0741449-A HYDROQUINONE DERIVATIVE HAVING PERFLUOROALKYL GROUP, ITS PRODUCTION, LIQUID CRYSTAL COMPOSITION CONTAINING THE DERIVATIVE AND LIQUID CRYSTAL ELEMENT USING THE LIQUID CRYSTAL COMPOSITION IDEMITSU PETROCHEM CO LTD 1995-02-10 JP disclosed
US-4163005-A FOR USE IN POLYMER COMPOSITIONS VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US disclosed