SCHEMBL28021929

SCHEMBL28021929

CCC1(O)c2ccccc2C=CC1Cl

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29074267 0.74 KDM4E (0.36) KDM4EPKMKMT2A
SCHEMBL6537805 0.74 KDM4E (0.36) KDM4EPKM
SCHEMBL28239121 0.73 KDM4E (0.34) KDM4EPKM
SCHEMBL7326617 0.72 KDM4E (0.56) KDM4EPKMCYP1A2CYP2C19KMT2A
SCHEMBL28228066 0.70 THRB (0.38) KDM4EPKMKMT2A
SCHEMBL6545117 0.70 KDM4E (0.40) KDM4EPKM
SCHEMBL1378915 0.67 AKR1B1 (0.42) KDM4EPKMKMT2A
SCHEMBL11852375 0.66 KDM4E (0.49) KDM4EPKMCYP1A2CYP2C19KMT2A
SCHEMBL6545025 0.65 KDM4E (0.37) KDM4EPKM
SCHEMBL28763516 0.64 KDM4E (0.31) KDM4EPKM

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
CN-102081100-B Liver cancer multi-marker micro-array kit as well as preparation method and application thereof LI BOAN 2015-06-24 CN disclosed