SCHEMBL11450068

SCHEMBL11450068

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 6/20 0.54
▸ PTGER2 P43116 5/20 0.54
▸ PTGER1 P34995 4/20 0.54
▸ PTGIR P43119 3/20 0.54
▸ PTGDR Q13258 1/20 0.54
▸ PTGER4 P35408 6/20 0.52
▸ PTGFR P43088 2/20 0.52
▸ TBXA2R P21731 2/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ PGR P06401 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL11450066 1.00 PTGER3 (0.54) PTGER3PTGER2PTGER1PTGIRPTGDR
Methanesulfonamide SCHEMBL11457171 0.95 PTGER3 (0.49) PTGER3PTGER2PTGER1PTGIRPTGDR
SCHEMBL11467592 0.91 PTGER2 (0.64) PTGER3PTGER2PTGER1PTGIRPTGDR
SCHEMBL11458881 0.91 PTGER2 (0.64) PTGER3PTGER2PTGER1PTGIRPTGDR
SCHEMBL11456911 0.89 PTGIR (0.42) PTGER3PTGER2PTGER1PTGIRPTGDR
SCHEMBL11456909 0.89 PTGIR (0.42) PTGER3PTGER2PTGER1PTGIRPTGDR
Methanesulfonamide SCHEMBL11450284 0.86 PTGER2 (0.58) PTGER3PTGER2PTGER1PTGIRPTGDR
SCHEMBL11457176 0.86 PTGER4 (0.52) PTGER3PTGER2PTGER1PTGIRPTGDR
SCHEMBL11457175 0.86 PTGER4 (0.52) PTGER3PTGER2PTGER1PTGIRPTGDR
SCHEMBL11450587 0.83 PTGER3 (0.51) PTGER3PTGER2PTGER1PTGIRPTGER4

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