SCHEMBL27653045

SCHEMBL27653045

OCCn1c2ccccc2c2c(-c3ccc(O)cc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 6/20 0.44
CHEK1 O14757 4/20 0.44
RET P07949 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
ESR1 P03372 2/20 0.39
KDR P35968 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAP3K11 Q16584 1/20 0.38
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL27653046 0.84 MEN1 (0.42) WEE1CHEK1MEN1KMT2APOLB
SCHEMBL27673137 0.83 WEE1 (0.44) WEE1CHEK1RETMEN1KMT2A
SCHEMBL27673158 0.82 WEE1 (0.45) WEE1CHEK1RETMEN1KMT2A
SCHEMBL27653148 0.81 WEE1 (0.38) WEE1CHEK1RETESR1KDR
SCHEMBL27653131 0.80 RET (0.56) WEE1CHEK1RETMEN1KMT2A
SCHEMBL27673150 0.80 WEE1 (0.47) WEE1CHEK1RETMEN1KMT2A
SCHEMBL3873857 0.80 MEN1 (0.46) WEE1MEN1KMT2APOLBMAPT
SCHEMBL27653121 0.78 POLB (0.48) WEE1CHEK1MEN1KMT2APOLB
SCHEMBL27653080 0.77 WEE1 (0.45) WEE1CHEK1RETMEN1KMT2A
SCHEMBL31609273 0.76 FABP4 (0.39) MEN1KMT2AHDAC6FABP3FABP4

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-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed