SCHEMBL29211647

SCHEMBL29211647

CC(C)(O)C(C)(C)O.OB(O)Oc1cc2ccccc2c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.41
TRPM4 Q8TD43 1/20 0.39
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 3/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 2/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RAD52 P43351 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPRT1 P00492 1/20 0.32
ERN1 O75460 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CYP11B1 P15538 1/20 0.32
MEN1 O00255 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
SCHEMBL29587289 0.90 GPR84 (0.47) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL2976968 0.90 GPR84 (0.47) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL29041584 0.80 ERN1 (0.40) GPR84TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL29211630 0.79 NQO1 (0.37) ALDH1A1HSD17B10HPGDCYP1A2MAPT
SCHEMBL29211637 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL28246955 0.75 CYP1A2 (0.50) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL28968720 0.73 KIF11 (0.35) ALDH1A1HSD17B10HPGDMAPTKDM4E
SCHEMBL29628913 0.73 CYP1A2 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL30960875 0.73 HPRT1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL30767112 0.73 NQO2 (0.52) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1

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-111253319-B Azacyclic compound, display panel and display device 武汉天马微电子有限公司 2024-02-09 CN disclosed