SCHEMBL11732610

SCHEMBL11732610

O=C(O)CCCC#CCNS(=O)(=O)CCCCC(O)COc1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.34
▸ CTSB P07858 1/20 0.34
▸ ADRB1 P08588 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TBXA2R P21731 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ PTGFR P43088 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL11733725 0.87 TBXA2R (0.39) CTSBADRB1KDM4EALDH1A1KMT2A
SCHEMBL11727609 0.87 LTA4H (0.38) ADRB1KMT2ATBXA2RPTGER1PTGFR
SCHEMBL11727274 0.85 TBXA2R (0.38) ADRB1TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11725298 0.85 CYP1A2 (0.45) CASRALDH1A1KMT2ATBXA2RPTGER1
SCHEMBL11726209 0.82 KDM4E (0.44) CASRKDM4EALDH1A1KMT2ATBXA2R
SCHEMBL11731623 0.82 TBXA2R (0.39) ADRB1KDM4ETBXA2RPTGER1PTGFR
SCHEMBL11731322 0.82 ADRB2 (0.45) ADRB1KMT2ATBXA2RPTGER1PTGFR
SCHEMBL11732616 0.82 GRM2 (0.33) GRM2CASRTBXA2RPTGER1PTGFR
SCHEMBL11734063 0.81 TBXA2R (0.40) ADRB1KDM4EALDH1A1KMT2ATBXA2R
SCHEMBL11733959 0.81 MAPK1 (0.41) ADRB1KDM4EALDH1A1TBXA2RPTGER1

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-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
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