SCHEMBL28054793

SCHEMBL28054793

CCC(COc1cccc2nc(C)c(C(=O)O)c(N)c12)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ACACB O00763 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ DCPS Q96C86 3/20 0.33
▸ TACR3 P29371 5/20 0.33
▸ TACR2 P21452 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32

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
SCHEMBL621410 0.86 HSD17B10 (0.39) TP53HSD17B10KMT2AMEN1TACR3
SCHEMBL620519 0.86 TAS1R3 (0.35) TP53HSD17B10KMT2AMEN1CYP1A2
SCHEMBL619523 0.86 TAS1R3 (0.35) TP53HSD17B10KMT2AMEN1CYP1A2
SCHEMBL620437 0.86 HSD17B10 (0.39) TP53HSD17B10KMT2AMEN1TACR3
SCHEMBL620609 0.85 TAS1R3 (0.37) KMT2AMEN1
SCHEMBL621416 0.85 TAS1R3 (0.37) KMT2AMEN1
SCHEMBL619413 0.85 TP53 (0.43) TP53HSD17B10KMT2AMEN1CYP1A2
SCHEMBL28073770 0.84 TP53 (0.40) TP53HSD17B10KMT2AMEN1CYP1A2
SCHEMBL621331 0.84 TP53 (0.40) TP53HSD17B10KMT2AMEN1CYP1A2
SCHEMBL15677270 0.84 TLR8 (0.46) TP53HSD17B10KMT2AMEN1DCPS

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
CN-102933081-B Sweet flavor modifier SENOMYX, INC. (US) 2016-04-13 — — CN disclosed
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