SCHEMBL5094890

SCHEMBL5094890

Nc1cccc(CC2CCCO2)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 5/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL20775411 0.84 PKM (0.46) KMT2APKMHPGDMEN1CYP1A2
SCHEMBL6886538 0.82 KMT2A (0.39) KMT2APKMHPGDLMNAMEN1
SCHEMBL28198362 0.77 PKM (0.42) KMT2APKMHPGDMEN1CYP1A2
SCHEMBL31548569 0.76 CD44 (0.36) KMT2APKMHPGD
SCHEMBL14935756 0.74 PKM (0.46) KMT2APKMHPGDMEN1CYP1A2
SCHEMBL30018228 0.73 TNK2 (0.42) KMT2APKMMEN1CYP1A2CYP2C9
SCHEMBL11242360 0.72 PKM (0.49) KMT2APKMHPGDCYP1A2CYP2C9
SCHEMBL11866397 0.72 KDM4E (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL30937791 0.72 PARP1 (0.50) KMT2APKMHPGDMEN1CYP2C9
SCHEMBL3330917 0.72 PARP1 (0.50) KMT2APKMHPGDMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008510738-A 2008-04-10 JP claimed
EP-1781597-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-05-09 EP claimed
WO-2006021256-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-03-02 WO claimed