SCHEMBL10555904

SCHEMBL10555904

O=C(O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccccc3n2)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 11/20 0.80
▸ CYSLTR2 Q9NS75 9/20 0.80
▸ ABCC1 P33527 4/20 0.69
▸ ABCC2 Q92887 3/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ ABCC3 O15438 1/20 0.69
▸ ABCC4 O15439 1/20 0.69
▸ ABCC5 O15440 1/20 0.69
▸ SLCO2B1 O94956 1/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ SLCO1B3 Q9NPD5 1/20 0.69
▸ ABCG2 Q9UNQ0 1/20 0.69
▸ SLCO1B1 Q9Y6L6 1/20 0.69
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL10555908 1.00 CYSLTR1 (0.80) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL14039268 0.92 CYSLTR1 (0.82) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9265732 0.89 CYSLTR1 (1.00) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9267947 0.89 CYSLTR1 (1.00) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9269002 0.88 CYSLTR1 (0.77) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9268992 0.88 CYSLTR1 (0.77) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9260188 0.87 CYSLTR1 (0.82) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9260193 0.87 CYSLTR1 (0.82) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9260038 0.85 CYSLTR1 (0.91) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9260040 0.85 CYSLTR1 (0.91) CYSLTR1CYSLTR2ABCC1ABCC2MEN1

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
US-4851409-A LEUKOTRIENE ANTAGONIST, ANTIASTHMA, ANTIALLERGEN, ANTIINFLAMMATORY, CYTOPROTECTIVE MERCK FROSST CANADA INC. (CA) 1989-07-25 — — US disclosed
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