SCHEMBL20179734

SCHEMBL20179734

COC(=O)CCCSc1cccc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.63
MTNR1B P49286 11/20 0.63
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL20544602 0.94 MTNR1A (0.60) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL23226196 0.91 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL3169884 0.88 MTNR1B (0.55) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL4405658 0.87 ALDH1A1 (0.61) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL20165074 0.86 ALDH1A1 (0.59) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL29756921 0.84 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL12470557 0.82 ALDH1A1 (0.62) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL4272836 0.82 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL4271362 0.82 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1LMNATHRB
SCHEMBL4267817 0.82 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1LMNATHRB

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-2018091153-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-05-24 WO disclosed