SCHEMBL172408

SCHEMBL172408

CCC[C@H](C)NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
SHBG P04278 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
EPHX2 P34913 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18844962 1.00 EPHX1 (0.42) EPHX1SMN1; SMN2SHBGCYP2D6GAA
SCHEMBL7776737 1.00 EPHX1 (0.42) EPHX1SMN1; SMN2SHBGCYP2D6GAA
SCHEMBL6061582 1.00 EPHX1 (0.42) EPHX1SMN1; SMN2SHBGCYP2D6GAA
SCHEMBL7770562 0.98 EPHX1 (0.39) EPHX1SMN1; SMN2SHBGCYP2D6GAA
SCHEMBL2411184 0.89
SCHEMBL11057849 0.88 SIGMAR1 (0.40) EPHX1SHBGEPHX2MEN1KMT2A
SCHEMBL25476883 0.86 EPHX1 (0.40) EPHX1SMN1; SMN2SHBGGAAL3MBTL1
SCHEMBL11057091 0.86 EPHX1 (0.41) EPHX1EPHX2MEN1KMT2A
SCHEMBL19593153 0.86 EPHX1 (0.41) EPHX1EPHX2MEN1KMT2A
SCHEMBL18520361 0.84 SIGMAR1 (0.44) EPHX1ALDH1A1EPHX2KMT2A

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-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed