SCHEMBL11449052

SCHEMBL11449052

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 3/20 0.62
▸ PTGFR P43088 3/20 0.62
▸ PTGER3 P43115 3/20 0.62
▸ PTGER4 P35408 2/20 0.62
▸ PTGIR P43119 2/20 0.62
▸ TBXA2R P21731 2/20 0.62
▸ PTGER1 P34995 2/20 0.62
▸ NR1I2 O75469 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ PGR P06401 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ OPRK1 P41145 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ MEN1 O00255 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MGLL Q99685 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL11449051 1.00 PTGER2 (0.62) PTGER2PTGFRPTGER3PTGER4PTGIR
Methanesulfonamide SCHEMBL11458533 0.95 PTGER2 (0.57) PTGER2PTGFRPTGER3PTGER4PTGIR
SCHEMBL11450588 0.91 PTGER3 (0.51) PTGER2PTGFRPTGER3PTGER4PTGIR
SCHEMBL11450587 0.91 PTGER3 (0.51) PTGER2PTGFRPTGER3PTGER4PTGIR
SCHEMBL11450054 0.90 PTGER4 (0.51) PTGER2PTGFRPTGER3PTGER4PTGIR
SCHEMBL11450053 0.90 PTGER4 (0.51) PTGER2PTGFRPTGER3PTGER4PTGIR
SCHEMBL11457633 0.89 PTGER2 (0.49) PTGER2PTGFRPTGER3PTGER4PTGIR
SCHEMBL11457635 0.89 PTGER2 (0.49) PTGER2PTGFRPTGER3PTGER4PTGIR
Methanesulfonamide SCHEMBL11458516 0.86 PTGER3 (0.47) PTGER2PTGFRPTGER3PTGER4PTGIR
SCHEMBL11449527 0.86 PTGIR (0.61) PTGER2PTGFRPTGER3PTGER4PTGIR

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 claimed
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