SCHEMBL11655953

SCHEMBL11655953

COc1cccc(OCC(O)CCCC(C/C=C\CCCC(=O)O)C(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ PTGFR P43088 6/20 0.41
▸ TBXA2R P21731 2/20 0.41
▸ PTGER1 P34995 2/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ PTGER2 P43116 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL11661872 0.92 PTGFR (0.41) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11660406 0.90 PTGFR (0.52) KDM4EPTGFRTBXA2RPTGER1PTGER3
SCHEMBL11663400 0.90 PTGFR (0.41) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11654984 0.90 PTGFR (0.42) KDM4EPTGFRTBXA2RPTGER1PTGER3
SCHEMBL11660315 0.90 PTGFR (0.41) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11659001 0.90 PTGFR (0.41) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11657736 0.89 PTGIR (0.44) TSHRMAPK1PTGFRTBXA2RPTGER1
SCHEMBL11660564 0.88 PTGFR (0.41) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11656835 0.87 PTGFR (0.52) TSHRKDM4EPTGFRTBXA2RPTGER1
SCHEMBL11657992 0.87 PTGFR (0.41) PTGFRTBXA2RPTGER1PTGER3PTGER2

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 2 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
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