SCHEMBL14616200

SCHEMBL14616200

CCCC[C@H](C)CCCNC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
KISS1R Q969F8 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
LMNA P02545 1/20 0.36
DNM1 Q05193 2/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
CYP3A4 P08684 1/20 0.34
OPRM1 P35372 1/20 0.33
DPP7 Q9UHL4 1/20 0.31
SLC15A1 P46059 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL92647 1.00 EPHX1 (0.52) EPHX1KISS1RHTR2AHRH1ACE2
SCHEMBL19198224 0.93 EPHX1 (0.56) EPHX1KISS1RHTR2AHRH1ACE2
SCHEMBL27334711 0.93 EPHX1 (0.56) EPHX1KISS1RHTR2AHRH1ACE2
SCHEMBL18758414 0.93 EPHX1 (0.56) EPHX1KISS1RHTR2AHRH1ACE2
SCHEMBL19427053 0.91 EPHX1 (0.61) EPHX1KISS1RHTR2AHRH1ACE2
SCHEMBL17808443 0.90 EPHX1 (0.46) EPHX1KISS1RHTR2AHRH1ACE2
SCHEMBL7026506 0.90 EPHX1 (0.46) EPHX1KISS1RHTR2AHRH1ACE2
SCHEMBL21985348 0.88 EPHX1 (0.64) EPHX1ACE2LMNAALDH1A1TSHR
SCHEMBL24999126 0.86 EPHX1 (0.68) EPHX1ACE2LMNAALDH1A1TSHR
SCHEMBL21084325 0.86 EPHX1 (0.68) EPHX1ACE2LMNAALDH1A1TSHR

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-20070031904-A1 Mammalian IAP gene family, primers, probes and detection methods OTTAWA, UNIVERSITY OF (CA) 2007-02-08 US disclosed