SCHEMBL13430018

SCHEMBL13430018

SCCCc1ccc(-c2ccc(I)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ CHRNA7 P36544 2/20 0.38
▸ CHRNA10 Q9GZZ6 2/20 0.38
▸ CHRNA9 Q9UGM1 2/20 0.38
▸ CYP3A4 P08684 2/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ RARB P10826 3/20 0.35
▸ APP P05067 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SPHK2 Q9NRA0 4/20 0.33
▸ SPHK1 Q9NYA1 4/20 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
SCHEMBL11663225 0.93 SIGMAR1 (0.40) SIGMAR1CYP3A4IDO1APPSPHK2
SCHEMBL24372592 0.80 FFAR1 (0.50) IDO1TSHR
SCHEMBL11660289 0.79 CYP3A4 (0.42) SIGMAR1CYP3A4IDO1APP
SCHEMBL14367056 0.78 RARB (0.47) SIGMAR1HRH3CYP3A4RARBTSHR
SCHEMBL2158616 0.78 IDO1 (0.50) HRH3CHRNA7CHRNA10CHRNA9IDO1
SCHEMBL5243221 0.78 CYP3A4 (0.46) SIGMAR1CYP3A4IDO1APPSPHK2
SCHEMBL3032451 0.77 CYP3A4 (0.41) SIGMAR1HRH3CYP3A4IDO1APP
SCHEMBL28284957 0.76 SPHK2 (0.46) SIGMAR1CYP3A4IDO1APPHSD17B10
SCHEMBL22004489 0.74 HDAC2 (0.51) SIGMAR1
SCHEMBL24076857 0.74 TSHR (0.64) HRH3TSHRHSD17B10

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-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 — — US disclosed
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 — — US disclosed
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