SCHEMBL11449649

SCHEMBL11449649

CC#CCC(C)(C)[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1C)OC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 14/20 0.46
▸ PTGER3 P43115 7/20 0.46
▸ TBXA2R P21731 5/20 0.46
▸ PTGER1 P34995 4/20 0.46
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ SLCO2A1 Q92959 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ABCC4 O15439 1/20 0.41
▸ PDE4D Q08499 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11449650 1.00 PTGFR (0.46) PTGFRPTGER3TBXA2RPTGER1LMNA
SCHEMBL11450256 0.91 PTGFR (0.43) PTGFRPTGER3TBXA2RPTGER1LMNA
SCHEMBL11450345 0.91 PTGFR (0.43) PTGFRPTGER3TBXA2RPTGER1LMNA
SCHEMBL11449623 0.88 PTGFR (0.38) PTGFRPTGER3TBXA2RPTGER1LMNA
SCHEMBL11449622 0.88 PTGFR (0.38) PTGFRPTGER3TBXA2RPTGER1LMNA
Methanesulfonamide SCHEMBL11450868 0.88 PTGFR (0.40) PTGFRPTGER3TBXA2RPTGER1LMNA
SCHEMBL11449673 0.85 PTGFR (0.43) PTGFRPTGER3TBXA2RPTGER1LMNA
SCHEMBL11449672 0.85 PTGFR (0.43) PTGFRPTGER3TBXA2RPTGER1LMNA
SCHEMBL11450918 0.84 PTGER2 (0.43) PTGFRPTGER3TBXA2RPTGER1PTGER4
SCHEMBL11450920 0.84 PTGER2 (0.43) PTGFRPTGER3TBXA2RPTGER1PTGER4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4235930-A INDUCTION OF MENSTRUATION OR ABORTION SCHERING, A.G. (DE) 1980-11-25 — — US disclosed
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