SCHEMBL9633640

SCHEMBL9633640

[CH2]C(O)(CO)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
ACP3 P15309 2/20 0.38
KIF11 P52732 1/20 0.36
HSD17B10 Q99714 6/20 0.36
HPGD P15428 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 6/20 0.36
TSHR P16473 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
CYP2A6 P11509 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MPI P34949 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35

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
SCHEMBL10804024 0.80 CYP1A2 (0.41) CYP1A2ACP3KIF11HSD17B10HPGD
SCHEMBL17435207 0.79 CYP1A2 (0.44) CYP1A2ACP3KIF11HSD17B10HPGD
SCHEMBL586805 0.76 ALDH1A1 (0.41) CYP1A2ACP3KIF11HSD17B10HPGD
SCHEMBL27559429 0.76 HSD17B10 (0.44) CYP1A2ACP3HSD17B10HPGDCYP2C9
SCHEMBL11786019 0.74 CYP1A2 (0.48) CYP1A2ACP3KIF11HSD17B10HPGD
SCHEMBL1561798 0.74 CYP1A2 (0.48) CYP1A2ACP3KIF11HSD17B10HPGD
SCHEMBL5013877 0.74 ALDH1A1 (0.46) CYP1A2ACP3HSD17B10HPGDCYP2C9
SCHEMBL29503952 0.74 CYP1A2 (0.48) CYP1A2ACP3KIF11HSD17B10HPGD
SCHEMBL29167170 0.74 CYP1A2 (0.48) CYP1A2ACP3KIF11HSD17B10HPGD
SCHEMBL21802565 0.74 ALDH1A1 (0.40) CYP1A2ACP3KIF11HSD17B10HPGD

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
EP-0481372-A2 Crosslinkable composition DAIKIN INDUSTRIES, LIMITED (JP) 1992-04-22 EP disclosed