SCHEMBL9458376

SCHEMBL9458376

COC(=O)CCC(=O)CSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.52
▸ RAB9A P51151 5/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CASP3 P42574 1/20 0.44

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
SCHEMBL7492024 0.86 FFAR1 (0.55) FFAR1RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL6764561 0.84 FFAR1 (0.61) FFAR1RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL9361081 0.83 ANPEP (0.56) SMN1; SMN2LMNAALDH1A1KDM4EMAPT
SCHEMBL28897181 0.81 CYP1A2 (0.59) RAB9AL3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL10967471 0.80 FFAR1 (0.67) FFAR1L3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL9471879 0.80 RAB9A (0.57) RAB9AL3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL11218066 0.78 ALDH1A1 (0.66) RAB9AL3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL9179407 0.78 FFAR1 (0.74) FFAR1RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL9457455 0.77 FFAR1 (0.45) FFAR1RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL9472487 0.77 ACKR3 (0.57) RAB9AL3MBTL1NPC1SMN1; SMN2LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225421-A Leukotriene antagonists; cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1993-07-06 — — US disclosed
EP-0275667-B1 3-HETERO-SUBSTITUTED-N-BENZYL-INDOLES MERCK FROSST CANADA INC. (CA) 1992-03-18 — — EP disclosed
US-5081138-A Antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-01-14 — — US disclosed
EP-0275667-A1 3-hetero-substituted-N-benzyl-indoles MERCK FROSST CANADA INC. (CA) 1988-07-27 — — EP disclosed
EP-0063323-B1 5-SUBSTITUTED 4-OXO-PGI1 DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1985-10-30 — — EP disclosed
EP-0063338-B1 4-OXO PGI2 DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR THERAPEUTICAL COMPOSITIONS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1985-02-13 — — EP disclosed
US-4438132-A 4-Oxo-PGI2 compounds, their use in inhibition of thrombii and their production CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-03-20 — — US disclosed
EP-0063323-A1 5-Substituted 4-oxo-PGI1 derivatives, their preparation and pharmaceutical compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1982-10-27 — — EP disclosed
EP-0063338-A1 4-Oxo PGI2 derivatives, method for their preparation and their therapeutical compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1982-10-27 — — EP disclosed
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