SCHEMBL11458531

SCHEMBL11458531

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGFR P43088 3/20 0.40
▸ PTGER3 P43115 3/20 0.40
▸ PTGER2 P43116 3/20 0.40
▸ PTGER4 P35408 2/20 0.40
▸ PTGIR P43119 2/20 0.40
▸ TBXA2R P21731 2/20 0.40
▸ PTGER1 P34995 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MGLL Q99685 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
SCHEMBL11458530 1.00 MEN1 (0.40) MEN1THRBKMT2APTGFRPTGER3
SCHEMBL11457633 0.92 PTGER2 (0.49) MEN1THRBKMT2APTGFRPTGER3
SCHEMBL11457635 0.92 PTGER2 (0.49) MEN1THRBKMT2APTGFRPTGER3
SCHEMBL11450587 0.89 PTGER3 (0.51) MEN1THRBKMT2APTGFRPTGER3
SCHEMBL11450588 0.89 PTGER3 (0.51) MEN1THRBKMT2APTGFRPTGER3
Methanesulfonamide SCHEMBL11458516 0.84 PTGER3 (0.47) MEN1THRBKMT2APTGFRPTGER3
SCHEMBL11456911 0.84 PTGIR (0.42) MEN1THRBKMT2APTGFRPTGER3
SCHEMBL11456909 0.84 PTGIR (0.42) MEN1THRBKMT2APTGFRPTGER3
SCHEMBL11457593 0.84 PTGER2 (0.37) MEN1THRBKMT2APTGFRPTGER3
SCHEMBL11457595 0.84 PTGER2 (0.37) MEN1THRBKMT2APTGFRPTGER3

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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