SCHEMBL11657093

SCHEMBL11657093

COc1cccc(OCC(O)CCCC(CCCCCCC(=O)O)C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ PTGFR P43088 3/20 0.47
▸ TBXA2R P21731 2/20 0.47
▸ PTGER1 P34995 2/20 0.47
▸ PTGER3 P43115 2/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MTNR1A P48039 3/20 0.46
▸ MTNR1B P49286 3/20 0.46
▸ PTGDR Q13258 1/20 0.45
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ CASR P41180 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LTB4R Q15722 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11657383 0.89 TBXA2R (0.47) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11661911 0.89 PTGFR (0.46) PTGFRTBXA2RPTGER1PTGER3LMNA
SCHEMBL11658378 0.89 TBXA2R (0.56) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11661817 0.88 PTGER1 (0.46) TSHRMAPK1PTGFRTBXA2RPTGER1
SCHEMBL11662117 0.88 ABCB1 (0.49) TSHRKDM4EPTGFRTBXA2RPTGER1
SCHEMBL11654409 0.88 PTGER1 (0.46) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11655915 0.88 PTGFR (0.61) KDM4EPTGFRTBXA2RPTGER1PTGER3
SCHEMBL11654416 0.88 PTGFR (0.48) KDM4EPTGFRTBXA2RPTGER1PTGER3
SCHEMBL11656559 0.88 TSHR (0.48) TSHRMAPK1KDM4EMTNR1AMTNR1B
SCHEMBL11658722 0.87 MAPK1 (0.46) TSHRMAPK1KDM4EPTGFRTBXA2R

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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