SCHEMBL11654409

SCHEMBL11654409

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 5/20 0.46
▸ PTGFR P43088 4/20 0.46
▸ PTGER3 P43115 4/20 0.46
▸ TBXA2R P21731 2/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ PTGDR Q13258 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ FFAR4 Q5NUL3 3/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ PTGER4 P35408 1/20 0.37
▸ ABCB1 P08183 2/20 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) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11657383 0.88 TBXA2R (0.47) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11657549 0.88 NPC1 (0.40) USP2
SCHEMBL11658378 0.88 TBXA2R (0.56) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11662117 0.87 ABCB1 (0.49) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11655915 0.87 PTGFR (0.61) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11654416 0.87 PTGFR (0.48) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11661817 0.87 PTGER1 (0.46) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11661240 0.87 TBXA2R (0.45) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11661482 0.87 PTGFR (0.45) PTGER1PTGFRPTGER3TBXA2RPTGER2

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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