SCHEMBL19220740

SCHEMBL19220740

CCCCCCCCc1cc2sc3c(ccc4c5sc(CCCCCCCC)cc5sc43)c2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL19220731 0.90 GPR35 (0.46) GPR35SRC
SCHEMBL19220733 0.90 — —
SCHEMBL14925168 0.87 GPR35 (0.33) GPR35MAPTPTGS2
SCHEMBL19295439 0.86 GPR35 (0.38) GPR35PTGS2ESR1TP53CYP3A4
SCHEMBL23332266 0.85 GPR35 (0.35) GPR35MAPTPTGS2ESR1TP53
SCHEMBL19419239 0.85 GPR35 (0.35) GPR35MAPTPTGS2ESR1TP53
SCHEMBL19419252 0.85 GPR35 (0.35) GPR35MAPTPTGS2ESR1TP53
SCHEMBL19220732 0.84 GPR35 (0.37) GPR35MAPTPTGS2ESR1TP53
SCHEMBL19419244 0.83 GPR35 (0.35) GPR35MAPTPTGS2CYP3A4ALDH1A1
SCHEMBL15791268 0.82 MAPT (0.36) SRCMAPTPTGS2ESR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226281-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, ORGANIC SEMICONDUCTOR COMPOSITION, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 — — US disclosed
US-20170226281-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, ORGANIC SEMICONDUCTOR COMPOSITION, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 — — US disclosed
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