SCHEMBL11450644

SCHEMBL11450644

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 9/20 0.48
▸ PTGER3 P43115 7/20 0.45
▸ PTGER4 P35408 5/20 0.45
▸ HTT P42858 1/20 0.43
▸ PTGER1 P34995 4/20 0.42
▸ PTGFR P43088 3/20 0.42
▸ TBXA2R P21731 2/20 0.42
▸ PTGIR P43119 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TRPA1 O75762 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL11450642 1.00 PTGER2 (0.48) PTGER2PTGER3PTGER4HTTPTGER1
Methanesulfonamide SCHEMBL11459130 0.95 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTPTGER1
SCHEMBL11457595 0.89 PTGER2 (0.37) PTGER2PTGER3PTGER4HTTPTGER1
SCHEMBL11457593 0.89 PTGER2 (0.37) PTGER2PTGER3PTGER4HTTPTGER1
SCHEMBL11450906 0.86 MEN1 (0.42) PTGER2PTGER3PTGER4TBXA2RPTGIR
SCHEMBL11450909 0.86 MEN1 (0.42) PTGER2PTGER3PTGER4TBXA2RPTGIR
SCHEMBL11596602 0.85 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGER1
SCHEMBL11727007 0.85 PTGER2 (0.49) PTGER2PTGER3PTGER4HTTPTGER1
SCHEMBL11599718 0.85 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGER1
SCHEMBL11596612 0.85 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGER1

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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