SCHEMBL11656818

SCHEMBL11656818

CC(=O)C(CC#CCCCC(=O)O)CCCC(O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 6/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ TBXA2R P21731 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGER2 P43116 1/20 0.37

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
SCHEMBL11660150 0.88 TBXA2R (0.39) PTGFRPTGER3MRGPRX4MAOBTBXA2R
SCHEMBL11661648 0.87 ADRB2 (0.41) PTGFRPTGER3ALDH1A1GAATBXA2R
SCHEMBL11658825 0.87 TSHR (0.45) PTGFRPTGER3KDM4EALDH1A1GAA
SCHEMBL11660005 0.87 TBXA2R (0.39) PTGFRPTGER3PPARGPPARATBXA2R
SCHEMBL11661482 0.87 PTGFR (0.45) PTGFRPTGER3KDM4EALDH1A1GAA
SCHEMBL11661929 0.86 PTGFR (0.51) PTGFRPTGER3KDM4EPPARGTBXA2R
SCHEMBL11657211 0.86 TBXA2R (0.39) PTGFRPTGER3KDM4EALDH1A1GAA
SCHEMBL11656948 0.86 TBXA2R (0.41) PTGFRPTGER3KDM4EALDH1A1MRGPRX4
SCHEMBL11657915 0.85 MAPK1 (0.39) PTGFRPTGER3KDM4EALDH1A1GAA
SCHEMBL11660214 0.85 TBXA2R (0.38) PTGFRPTGER3TBXA2RPTGER1PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4126629-A FERTILITY CONTROL MERCK & CO., INC. (US) 1978-11-21 — — US disclosed
US-4061643-A ANTIFERTILITY MERCK & CO., INC. (US) 1977-12-06 — — US disclosed
US-4020177-A CONTRACEPTIVES MERCK & CO., INC. (US) 1977-04-26 — — US disclosed
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