SCHEMBL9865505

SCHEMBL9865505

COc1cc(CCl)cc(OC)c1OCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ THRA P10827 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ PARP15 Q460N3 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ MITF O75030 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA6 P23280 2/20 0.37
▸ COL1A1 P02452 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL9121357 0.88 PARP15 (0.47) ALDH1A1KDM4ETHRATHRBPARP15
SCHEMBL9122043 0.78 KMT2A (0.47) ALDH1A1THRATHRBPARP15PARP10
SCHEMBL26684938 0.74 CNR2 (0.43) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14834850 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EPARP15PARP10MEN1
SCHEMBL7324207 0.74 PDE4B (0.56) CA2
SCHEMBL20970869 0.74 HTR2A (0.64) KDM4E
SCHEMBL24951301 0.73 KMT2A (0.52) ALDH1A1KDM4EPARP15PARP10MEN1
SCHEMBL26684865 0.72 HTR2A (0.43) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL1706883 0.72 PTGS2 (0.64) KDM4E
SCHEMBL7725064 0.70 KMT2A (0.43) ALDH1A1THRATHRBPARP15PARP10

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
US-5037827-A Useful for treatment of disease caused by platelet activating factory EISAI CO., LTD. (JP) 1991-08-06 — — US disclosed
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