SCHEMBL11248944

SCHEMBL11248944

Cc1c(C(C)c2ccccc2)c(O)[nH]c(=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.42
DAO P14920 5/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.37
XDH P47989 1/20 0.36
TYR P14679 1/20 0.36
DDO Q99489 1/20 0.36
KMT2A Q03164 2/20 0.35
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL9496068 0.67 TYR (0.52) VKORC1LMNAALDH1A1HPGDTYR
SCHEMBL22708458 0.66 KMT2A (0.42) VKORC1LMNAALDH1A1TYRKMT2A
SCHEMBL28931828 0.66 TYR (0.43) VKORC1LMNAALDH1A1HPGDNPSR1
SCHEMBL25266353 0.65 TYR (0.50) VKORC1LMNAALDH1A1HPGDPOLB
SCHEMBL661820 0.65 TYR (0.50) VKORC1LMNAALDH1A1HPGDPOLB
Hydrogen Peroxide SCHEMBL8846644 0.65 ESR1 (0.55) LMNAALDH1A1TYRKMT2AMEN1
SCHEMBL6174518 0.64 VKORC1 (0.55) VKORC1ALDH1A1TYRKMT2AHTT
SCHEMBL9418836 0.63 TYR (0.44) VKORC1LMNAALDH1A1HPGDPOLB
SCHEMBL1275540 0.63 TYR (0.44) VKORC1LMNAALDH1A1HPGDNPSR1
SCHEMBL573757 0.63 TYR (0.41) VKORC1LMNAALDH1A1HPGDNPSR1

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-4327018-A Azo dyes and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-04-27 US disclosed