SCHEMBL172341

SCHEMBL172341

CCC(C)NC(C)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.34
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL172674 0.89 SHBG (0.48) SHBGEPHX1ALDH1A1TP53
SCHEMBL13995939 0.78
SCHEMBL13995866 0.78
SCHEMBL6177824 0.78 EPHX2 (0.33)
SCHEMBL18871640 0.76 SHBG (0.32) SHBG
SCHEMBL25517902 0.73
SCHEMBL14011253 0.73
SCHEMBL22204432 0.71
SCHEMBL172655 0.71
SCHEMBL8776143 0.71

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