SCHEMBL24450112

SCHEMBL24450112

C/C=C\C=C(/C=C\C)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R38 P59533 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ PHGDH O43175 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAOB P27338 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL13514968 1.00 TAS2R38 (0.39) TAS2R38HSD17B10GAANPC1RAB9A
SCHEMBL18473251 0.84 GAA (0.45) TAS2R38HSD17B10GAANPC1RAB9A
SCHEMBL20008068 0.84 TGM2 (0.47) TAS2R38HSD17B10GAANPC1RAB9A
SCHEMBL12344947 0.84 TGM2 (0.43) TAS2R38HSD17B10GAANPC1RAB9A
SCHEMBL24158448 0.84 TAS2R38 (0.42) TAS2R38HSD17B10GAANPC1RAB9A
SCHEMBL15292671 0.84 TGM2 (0.47) TAS2R38HSD17B10GAANPC1RAB9A
SCHEMBL19176338 0.79 MAOB (0.42) TAS2R38HSD17B10GAANPC1RAB9A
SCHEMBL18949936 0.78 MAPT (0.45) HSD17B10GAARAB9AKMT2AMEN1
SCHEMBL25805470 0.78 MAPT (0.32) ALDH1A1MAPT
SCHEMBL13626039 0.78 MAPT (0.45) HSD17B10GAARAB9AKMT2AMEN1

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-20220165954-A1 FORMULATION CONTAINING A CROSSLINKABLE POLYMER MERCK PATENT GMBH (DE) 2022-05-26 — — US disclosed
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