SCHEMBL31208309

SCHEMBL31208309

CC(=O)c1ccc(N)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
PKM P14618 1/20 0.50
CREBBP Q92793 1/20 0.49
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HSD17B1 P14061 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CA5A P35218 1/20 0.43
CYP2A6 P11509 1/20 0.42
STS P08842 1/20 0.41

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
SCHEMBL122646 1.00 PRKCI (0.53) PRKCIPKMCREBBPCYP3A4ALOX15
SCHEMBL30527097 0.83 PRKCI (0.58) PRKCIPKMCREBBPALOX15HSD17B10
SCHEMBL3287715 0.83 PRKCI (0.58) PRKCIPKMCREBBPALOX15HSD17B10
SCHEMBL29412590 0.82 HSD17B10 (0.52) PKMCYP3A4ALOX15HSD17B10HTT
SCHEMBL31495791 0.82 PRKCI (0.62) PRKCIPKMCREBBPHSD17B10HTT
SCHEMBL265937 0.82 PRKCI (0.62) PRKCIPKMCREBBPHSD17B10HTT
SCHEMBL766129 0.82 HSD17B10 (0.52) PKMCYP3A4ALOX15HSD17B10HTT
SCHEMBL5595306 0.80 LCK (0.55) CYP3A4ALOX15HSD17B10MAPTRAB9A
SCHEMBL180385 0.80 KDM4E (0.64) CYP3A4ALOX15HSD17B10HTTMAPT
SCHEMBL144106 0.79 CA12 (0.62) PKMHTTMAPTRAB9ANPC1

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-113874074-B HMOX1 inducers 米托布里奇公司 2024-11-01 CN disclosed