SCHEMBL11654416

SCHEMBL11654416

CC(=O)C(CCCCCCC(=O)O)CCCC(O)COc1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 3/20 0.48
▸ PTGER1 P34995 3/20 0.48
▸ PTGER3 P43115 3/20 0.48
▸ TBXA2R P21731 2/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ PTGDR Q13258 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALK Q9UM73 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PTGER4 P35408 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAOB P27338 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
SCHEMBL11657093 0.88 TSHR (0.50) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11657383 0.88 TBXA2R (0.47) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11656949 0.88 TBXA2R (0.38) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11658378 0.88 TBXA2R (0.56) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11661817 0.87 PTGER1 (0.46) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11654409 0.87 PTGER1 (0.46) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11655915 0.87 PTGFR (0.61) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11662117 0.87 ABCB1 (0.49) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11658722 0.86 MAPK1 (0.46) PTGFRPTGER1PTGER3TBXA2RPTGER2
SCHEMBL11656948 0.86 TBXA2R (0.41) PTGFRPTGER1PTGER3TBXA2RPTGER2

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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