SCHEMBL11469149

SCHEMBL11469149

CC#CCC(C)[C@H](O)C=C[C@H]1CCC(=O)[C@@H]1CC=CCCCC(=O)NC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 9/20 0.38
▸ PTGER3 P43115 5/20 0.38
▸ PTGIR P43119 4/20 0.38
▸ PTGER1 P34995 2/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ PTGER4 P35408 6/20 0.37
▸ KCNH2 Q12809 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TBXA2R P21731 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ PTGFR P43088 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL11469148 1.00 PTGER2 (0.38) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL11449056 0.88 PTGER2 (0.48) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL11449054 0.88 PTGER2 (0.48) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL11459979 0.87 PTGER4 (0.42) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL11459978 0.87 PTGER4 (0.42) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL11456911 0.84 PTGIR (0.42) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL11457593 0.84 PTGER2 (0.37) PTGER2PTGER3PTGIRPTGER1PTGER4
SCHEMBL11458887 0.84 PTGIR (0.50) PTGER2PTGER3PTGIRPTGER1PTGDR
SCHEMBL11456909 0.84 PTGIR (0.42) PTGER2PTGER3PTGIRPTGER1PTGDR
Methanesulfonamide SCHEMBL11459676 0.84 PTGER2 (0.44) PTGER2PTGER3PTGIRPTGER1PTGDR

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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