SCHEMBL9722787

SCHEMBL9722787

COC(=O)c1c[c]cc(C(=O)OC)c1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CFTR P13569 1/20 0.37
KDM4E B2RXH2 5/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ATM Q13315 2/20 0.36
POLB P06746 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR4A2 P43354 1/20 0.35

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
SCHEMBL9722785 0.79 TSHR (0.48) TSHRLMNAL3MBTL1TDP1HSD17B10
SCHEMBL127749 0.77 CA1 (0.45) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL5470293 0.72 CA1 (0.48) TSHRLMNAL3MBTL1TDP1HSD17B10
SCHEMBL2516500 0.72 ALDH1A1 (0.49) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL27341111 0.72 TSHR (0.47) TSHRLMNAL3MBTL1TDP1HSD17B10
SCHEMBL27971659 0.71 CA1 (0.40) TSHRLMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL6202400 0.71 LMNA (0.41) TSHRLMNAL3MBTL1TDP1HSD17B10
SCHEMBL130031 0.69 TSHR (0.44) TSHRLMNATDP1HSD17B10ALDH1A1
SCHEMBL5465624 0.69 ABL1 (0.42) TSHRLMNAHSD17B10ALDH1A1CFTR
SCHEMBL6199717 0.69 ALDH1A1 (0.47) TSHRLMNAL3MBTL1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US claimed
US-4978362-A Thermoplastic resin composition containing polyalkyleneoxy-substituted azo coloring agents having trifluoromethyl substituents MILLIKEN RESEARCH CORPORATION (US) 1990-12-18 US claimed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP claimed
US-4751254-A COLORING POLURETHANES USING POLYALKOXYTRIFLUOROANILINE COMPOUNDS MILLIKEN RESEARCH CORPORATION (US) 1988-06-14 US claimed
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed