SCHEMBL8307988

SCHEMBL8307988

O=C(CC(=O)C1CC1)c1ccc(Cl)c2c1OCCS2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.31
MTNR1A P48039 3/20 0.30
MTNR1B P49286 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL8310183 0.85 CTNNB1 (0.33) MTNR1A
SCHEMBL8310642 0.82 HSD17B10 (0.33) HPGDMTNR1A
SCHEMBL8307188 0.81 CTNNB1 (0.33) MTNR1A
SCHEMBL8309840 0.81 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL8308747 0.78 HSD17B10 (0.33) HPGDMTNR1A
SCHEMBL8310386 0.78 KDM4E (0.43)
SCHEMBL8310408 0.77 ALDH1A1 (0.36) MTNR1AMTNR1B
SCHEMBL8310551 0.74 HTR1A (0.32)
SCHEMBL8526081 0.72 GRM7 (0.32) GAA
SCHEMBL8311196 0.72 CYP11B1 (0.31)

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