SCHEMBL27477461

SCHEMBL27477461

Cc1ccc(C(C)c2ccccc2)c(O)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.51
TSHR P16473 3/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
VKORC1 Q9BQB6 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACP3 P15309 1/20 0.35
ESR1 P03372 1/20 0.34
PDCD1 Q15116 1/20 0.34
ESR2 Q92731 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
LMNA P02545 2/20 0.34
HIF1A Q16665 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 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
SCHEMBL9065050 0.84 TYR (0.48) TYRTSHRGAAHPGDNPSR1
SCHEMBL1129856 0.80 TYR (0.46) TYRTSHRGAAHPGDNPSR1
SCHEMBL1130428 0.79 TYR (0.44) TYRTSHRGAAHPGDNPSR1
SCHEMBL4941262 0.79 HPGD (0.49) TYRTSHRGAAHPGDNPSR1
SCHEMBL9497285 0.78 TYR (0.45) TYRTSHRGAAHPGDNPSR1
SCHEMBL3161235 0.78 GABRA1 (0.56) TYRTSHRGAAHPGDNPSR1
SCHEMBL8370447 0.77 TYR (0.44) TYRTSHRGAAHPGDNPSR1
SCHEMBL3084333 0.77 TYR (0.59) TYRTSHRGAAHPGDNPSR1
SCHEMBL28384618 0.76 TYR (0.50) TYRTSHRGAANPSR1HTT
SCHEMBL29358402 0.76 ADRA2A (0.47) TYRTSHRGAANPSR1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159131-A Electroluminescent devices BAYER AG (DE) 1997-09-10 CN claimed
CN-1159131-A Electroluminescent devices BAYER AG (DE) 1997-09-10 CN disclosed