SCHEMBL11457593

SCHEMBL11457593

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 8/20 0.37
▸ PTGER3 P43115 6/20 0.36
▸ PTGER4 P35408 4/20 0.36
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGFR P43088 3/20 0.33
▸ TBXA2R P21731 2/20 0.33
▸ PTGER1 P34995 2/20 0.33
▸ PTGIR P43119 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
▸ PDE4D Q08499 1/20 0.32
▸ MGLL Q99685 1/20 0.31

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
SCHEMBL11457595 1.00 PTGER2 (0.37) PTGER2PTGER3PTGER4HTTMEN1
SCHEMBL11450642 0.89 PTGER2 (0.48) PTGER2PTGER3PTGER4HTTMEN1
SCHEMBL11450644 0.89 PTGER2 (0.48) PTGER2PTGER3PTGER4HTTMEN1
SCHEMBL11459382 0.87 MEN1 (0.39) PTGER2PTGER3PTGER4MEN1KMT2A
SCHEMBL11459381 0.87 MEN1 (0.39) PTGER2PTGER3PTGER4MEN1KMT2A
SCHEMBL11457635 0.84 PTGER2 (0.49) PTGER2PTGER3PTGER4MEN1THRB
SCHEMBL11458531 0.84 MEN1 (0.40) PTGER2PTGER3PTGER4MEN1THRB
Methanesulfonamide SCHEMBL11459130 0.84 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTMEN1
SCHEMBL11458530 0.84 MEN1 (0.40) PTGER2PTGER3PTGER4MEN1THRB
SCHEMBL11457633 0.84 PTGER2 (0.49) PTGER2PTGER3PTGER4MEN1THRB

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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