SCHEMBL9108250

SCHEMBL9108250

COC(=O)c1ccccc1CCC(=O)c1cccc(C=Cc2ccc3ccc(F)cc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 7/20 0.46
▸ CYSLTR1 Q9Y271 7/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL9108247 1.00 CYSLTR2 (0.46) CYSLTR2CYSLTR1ALDH1A1LMNAKDM4E
SCHEMBL201960 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL29517073 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL30497375 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL201961 0.90 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9102221 0.83 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL8629215 0.83 CYSLTR2 (0.44) CYSLTR2CYSLTR1ALDH1A1KDM4EHPGD
SCHEMBL8629212 0.83 CYSLTR2 (0.44) CYSLTR2CYSLTR1ALDH1A1KDM4EHPGD
SCHEMBL9102214 0.83 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL27935898 0.80 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3

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-5427933-A Bioconversion MERCK & CO., INC. (US) 1995-06-27 — — US disclosed
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