SCHEMBL5141352

SCHEMBL5141352

Cc1cccc(-c2ccccc2)c1C.Cc1cccc(C)c1-c1c(C)cccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.52
▸ CD274 Q9NZQ7 1/20 0.52
▸ MYC P01106 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP2A6 P11509 2/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR4 P22455 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL192334 0.93 PDCD1 (0.57) PDCD1CD274MYCALDH1A1HSD17B10
Benzene SCHEMBL29008554 0.93 PDCD1 (0.57) PDCD1CD274MYCALDH1A1HSD17B10
SCHEMBL28534444 0.91 PDCD1 (0.55) PDCD1CD274MYCALDH1A1HSD17B10
Iodide SCHEMBL28397643 0.91 PDCD1 (0.55) PDCD1CD274MYCALDH1A1HSD17B10
Water SCHEMBL28318471 0.91 PDCD1 (0.55) PDCD1CD274MYCALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL3461161 0.91 PDCD1 (0.55) PDCD1CD274MYCALDH1A1HSD17B10
Ethane SCHEMBL7512730 0.91 PDCD1 (0.55) PDCD1CD274MYCALDH1A1HSD17B10
Biphenyl SCHEMBL11408375 0.91 PDCD1 (0.55) PDCD1CD274MYCALDH1A1HSD17B10
Methane SCHEMBL5615229 0.91 PDCD1 (0.55) PDCD1CD274MYCALDH1A1HSD17B10
SCHEMBL27852091 0.91 PDCD1 (0.55) PDCD1CD274MYCALDH1A1HSD17B10

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
WO-2008103599-A2 COMPOSITION, ITS USE IN THE PREPARATION OF MEMBRANES, AND SYSTEMS COMPRISING THE MEMBRANES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-08-28 — — WO disclosed
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