SCHEMBL11657643

SCHEMBL11657643

CC(=O)C(CCCCCCC(=O)O)CCCC(O)COc1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.40
▸ PTGFR P43088 4/20 0.40
▸ PTGER3 P43115 3/20 0.40
▸ TBXA2R P21731 3/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ PTGER2 P43116 1/20 0.38
▸ GRM2 Q14416 2/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ CTSB P07858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PLA2G4B P0C869 1/20 0.33

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
SCHEMBL11658754 0.91 KDM4E (0.42) PTGER1PTGFRPTGER3TBXA2RPTGDR
SCHEMBL11654896 0.88 GRM2 (0.39) GRM2
SCHEMBL11661119 0.86 NFKB1 (0.38) PTGER1PTGFRPTGER3TBXA2RPTGER2
SCHEMBL11658446 0.86 GRM2 (0.34) PTGER1PTGFRPTGER3TBXA2RPTGDR
SCHEMBL11661240 0.84 TBXA2R (0.45) PTGER1PTGFRPTGER3TBXA2RPTGDR
SCHEMBL11658378 0.83 TBXA2R (0.56) PTGER1PTGFRPTGER3TBXA2RPTGDR
SCHEMBL11654409 0.83 PTGER1 (0.46) PTGER1PTGFRPTGER3TBXA2RPTGDR
SCHEMBL11733734 0.81 TBXA2R (0.38) PTGER1PTGFRPTGER3TBXA2RPTGDR
SCHEMBL11657093 0.80 TSHR (0.50) PTGER1PTGFRPTGER3TBXA2RPTGDR
SCHEMBL11657383 0.80 TBXA2R (0.47) PTGER1PTGFRPTGER3TBXA2RPTGDR

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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