SCHEMBL27764640

SCHEMBL27764640

Cc1c(O)cccc1OB(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
TSHR P16473 1/20 0.40
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39

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
SCHEMBL30338488 0.83 MAPT (0.47) TRPA1ATMALDH1A1LMNAMAPT
SCHEMBL457239 0.83 MAPT (0.47) TRPA1ATMALDH1A1LMNAMAPT
SCHEMBL8594043 0.80 LMNA (0.54) TRPA1ATMALDH1A1LMNATP53
SCHEMBL29790333 0.78 CA2 (0.52) ALDH1A1LMNATP53MAPTHPGD
SCHEMBL862053 0.78 CA2 (0.52) ALDH1A1LMNATP53MAPTHPGD
SCHEMBL31003830 0.78 ALDH1A1 (0.38) TRPA1ATMALDH1A1MAPTPOLB
SCHEMBL31239267 0.78 ACHE (0.38) ALDH1A1LMNAHSD17B10MAPK1ESR1
SCHEMBL27764587 0.78 CYP3A4 (0.50) TRPA1ATMALDH1A1MAPTHPGD
SCHEMBL9444808 0.78 TRPA1 (0.45) TRPA1ATMALDH1A1LMNATP53
SCHEMBL27643018 0.78 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHPGDKDM4E

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-101394829-A Composition for the oxidative dyeing of keratin fibers and method for using such a composition PROCTER & GAMBLE (US) 2009-03-25 CN claimed
CN-101394829-A Composition for the oxidative dyeing of keratin fibers and method for using such a composition PROCTER & GAMBLE (US) 2009-03-25 CN disclosed