SCHEMBL10705648

SCHEMBL10705648

CCCCCCN(C)C(=O)CCCNC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.55
EPHX1 P07099 1/20 0.47
KDM4C Q9H3R0 7/20 0.46
KDM5A P29375 7/20 0.46
PHF8 Q9UPP1 4/20 0.46
KDM4A O75164 2/20 0.45
CNR1 P21554 1/20 0.44
KDM5C P41229 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
DNM1 Q05193 2/20 0.44
ALDH1A1 P00352 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 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
SCHEMBL8746083 0.93 EPHX2 (0.55) EPHX2EPHX1KDM4CKDM5APHF8
SCHEMBL8354604 0.90 KDM4C (0.53) EPHX2EPHX1KDM4CKDM5APHF8
SCHEMBL1832887 0.88 EPHX2 (0.53) EPHX2EPHX1KDM4CKDM5APHF8
SCHEMBL1837811 0.88 EPHX2 (0.53) EPHX2EPHX1KDM4CKDM5APHF8
SCHEMBL1834688 0.88 EPHX2 (0.53) EPHX2EPHX1KDM4CKDM5APHF8
SCHEMBL23732848 0.88 EPHX2 (0.53) EPHX2EPHX1KDM4CKDM5APHF8
SCHEMBL1830915 0.88 EPHX2 (0.53) EPHX2EPHX1KDM4CKDM5APHF8
SCHEMBL19316250 0.86 KDM4C (0.44) EPHX2EPHX1KDM4CKDM5APHF8
SCHEMBL1831077 0.86 EPHX2 (0.50) EPHX2KDM4CKDM5APHF8KDM4A
SCHEMBL2482309 0.85 EPHX2 (0.70) EPHX2KDM4CKDM5APHF8KDM4A

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
EP-0138504-B1 STEROID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-20 EP disclosed
US-4659516-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-21 US disclosed
EP-0138504-A2 Steroid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 EP disclosed