SCHEMBL11391072

SCHEMBL11391072

CCCSc1cccc2c1C(=O)OC2=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 9/20 0.44
▸ PTGS2 P35354 1/20 0.40
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TYMS P04818 2/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ P4HB P07237 1/20 0.36
▸ PDE5A O76074 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ S100A4 P26447 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL1828328 0.86 S100A4 (0.41) SOAT1ALOX15TDP1TYMSP4HB
SCHEMBL6365364 0.81 SOAT1 (0.47) SOAT1PTGS2TDP1HTR7P4HB
SCHEMBL11387500 0.77 ALOX15 (0.44) SOAT1PTGS2ALOX15TDP1TYMS
SCHEMBL17617816 0.76 TYMS (0.62) SOAT1ALOX15TDP1TYMSALDH1A1
SCHEMBL6910829 0.76 TDP1 (0.48) ALOX15TDP1TYMSALDH1A1TSHR
SCHEMBL301317 0.76 TDP1 (0.48) ALOX15TDP1TYMSP4HBALDH1A1
SCHEMBL10335607 0.75 ALDH1A1 (0.42) SOAT1PTGS2HTR7P4HBPDE5A
SCHEMBL14580986 0.74 SOAT1 (0.56) SOAT1PTGS2TDP1S100A4ALDH1A1
SCHEMBL1826217 0.71 ALOX15 (0.46) ALOX15TDP1TYMSTRPA1ALDH1A1
SCHEMBL11395755 0.70 ELANE (0.42) ALOX15TDP1TYMSTRPA1ALDH1A1

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
US-4250007-A Photocurable acrylic phosphate esters of epoxidized polybutadiene UBE INDUSTRIES, LTD. (JP) 1981-02-10 — — US disclosed
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