SCHEMBL10969445

SCHEMBL10969445

COC(=O)c1ccc(Cn2ccc3ccc(N(C(C)=O)C4CCCC4)cc32)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42

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
SCHEMBL10373748 0.91 KDM4E (0.53) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL10774670 0.88 EPHX2 (0.41) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL9479300 0.83 KDM4E (0.49) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL9372964 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL8901038 0.81 EPHX2 (0.41) EPHX2NR1H4
SCHEMBL9479108 0.79 EPHX2 (0.58) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL9478035 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL9633663 0.78 MTNR1A (0.38) NR1H4
SCHEMBL8998286 0.77 EPHX2 (0.56) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL9479292 0.77 EPHX2 (0.56) KDM4EALDH1A1HPGDLMNACYP3A4

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
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed