SCHEMBL14004367

SCHEMBL14004367

CCCCCNC(=O)NCCCCCCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
EPHX1 P07099 14/20 0.61
FPR3 P25089 2/20 0.55
FPR2 P25090 2/20 0.55
ALDH1A1 P00352 1/20 0.55
EPHX2 P34913 2/20 0.53
RAD52 P43351 1/20 0.52

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
SCHEMBL25477818 0.88 RAD52 (0.55) KDM4EEPHX1RAD52
SCHEMBL24001250 0.86 KDM4E (0.59) KDM4EFPR3FPR2ALDH1A1EPHX2
SCHEMBL25477820 0.86 RAD52 (0.53) KDM4EEPHX1RAD52
SCHEMBL30958387 0.85 EPHX1 (0.68) KDM4EEPHX1ALDH1A1EPHX2
SCHEMBL25477811 0.84 KDM4E (0.59) KDM4EALDH1A1RAD52
SCHEMBL3064749 0.84 KDM4E (0.54) KDM4EEPHX1FPR3FPR2ALDH1A1
SCHEMBL21827446 0.84 KDM4E (0.60) KDM4EFPR3FPR2ALDH1A1RAD52
SCHEMBL3896010 0.84 EPHX1 (0.54) KDM4EEPHX1ALDH1A1RAD52
Cyclohexane SCHEMBL5496549 0.84 EPHX1 (0.86) EPHX1EPHX2
SCHEMBL25480324 0.84 KDM4E (0.49) KDM4EEPHX1ALDH1A1RAD52

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-7456220-B2 Immunodulatory compositions and methods of use thereof GENZYME CORPORATION (US) 2008-11-25 US disclosed