SCHEMBL8309840

SCHEMBL8309840

Cc1ccc(C(=O)CC(=O)C2CC2)c2c1OCCS2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 3/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
MTNR1B P49286 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
SCHEMBL8307188 0.88 CTNNB1 (0.33) MTNR1AKMT2ANPC1
SCHEMBL8308747 0.85 HSD17B10 (0.33) MTNR1AHSD17B10
SCHEMBL8310386 0.85 KDM4E (0.43) HSD17B10NPC1RAB9A
SCHEMBL8310551 0.81 HTR1A (0.32) RAB9A
SCHEMBL8310183 0.81 CTNNB1 (0.33) MTNR1AKMT2ANPC1
SCHEMBL8307988 0.81 HPGD (0.31) MTNR1AMTNR1B
SCHEMBL8310642 0.80 HSD17B10 (0.33) MTNR1AHSD17B10
SCHEMBL8310758 0.77 HSD17B10 (0.38) MTNR1AMAPK1HSD17B10KMT2ANPC1
SCHEMBL8307322 0.77 KDM4E (0.36) MTNR1AMAPK1HSD17B10KMT2AMEN1
SCHEMBL8526081 0.77 GRM7 (0.32) KMT2AMEN1

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-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed