SCHEMBL7427682

SCHEMBL7427682

BrC(OCc1ccccc1)(OCc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
KIF11 P52732 1/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7626441 0.82 ALDH1A1 (0.42) TSHRIDO1AGXTPTPN1ALDH1A1
SCHEMBL1092597 0.79 KIF11 (0.54) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL18094635 0.79 TSHR (0.50) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL8656932 0.76 TSHR (0.46) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL7448195 0.76 TSHR (0.46) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL9176021 0.76 MAPK1 (0.54) TSHRIDO1AGXTCYP1A2CYP2C19
Ammonia Solution, Strong SCHEMBL7560279 0.76 KIF11 (0.50) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL584498 0.76 CYP2C19 (0.48) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL7723437 0.76 TSHR (0.46) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL3955750 0.76 CYP2C19 (0.48) TSHRIDO1AGXTCYP1A2CYP2C19

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
WO-2001060774-A1 SYNTHESIS OF RESVERATROL BRIGHAM YOUNG UNIVERSITY (US) 2001-08-23 WO disclosed