SCHEMBL11656948

SCHEMBL11656948

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.41
▸ PTGER1 P34995 2/20 0.41
▸ PTGFR P43088 2/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ PTGDR Q13258 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ ABCB1 P08183 2/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL11660005 0.90 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11661648 0.90 ADRB2 (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11658825 0.90 TSHR (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11660150 0.89 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11661929 0.89 PTGFR (0.51) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11657211 0.89 TBXA2R (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11657915 0.88 MAPK1 (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11660214 0.87 TBXA2R (0.38) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11660190 0.86 PRMT5 (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11656818 0.86 PTGFR (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2

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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