SCHEMBL5312558

SCHEMBL5312558

O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.65
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
EPHX2 P34913 2/20 0.44
NPC1 O15118 1/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5157466 0.81 HSD11B1 (0.58) HSD11B1HSD17B10L3MBTL1EPHX2EPHX1
SCHEMBL4779124 0.79 ALDH1A1 (0.54) L3MBTL1EPHX2KMT2AALDH1A1
SCHEMBL29117233 0.77 ALDH1A1 (0.60) HSD17B10L3MBTL1EPHX2KMT2AALDH1A1
SCHEMBL29117235 0.77 ALDH1A1 (0.60) HSD17B10L3MBTL1EPHX2KMT2AALDH1A1
SCHEMBL13602122 0.77 HSD11B1 (0.74) HSD11B1HSD17B10L3MBTL1EPHX2NPC1
SCHEMBL3920458 0.75 HSD11B1 (0.69) HSD11B1HSD17B10L3MBTL1EPHX2NPC1
SCHEMBL23210482 0.73 ITGB3 (0.43) ALDH1A1
SCHEMBL3461854 0.73 ITGB3 (0.43) ALDH1A1
SCHEMBL314947 0.73 ITGB3 (0.43) ALDH1A1
SCHEMBL15085132 0.73 BCHE (0.50) NPC1KMT2AALDH1A1

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
WO-2007057768-A2 SULFONYL DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed