SCHEMBL4752145

SCHEMBL4752145

C1=C\C(C2/C=C\CCCCC2)CCCCC/1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6900407 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10
SCHEMBL8903874 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10
SCHEMBL6900404 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10
SCHEMBL1232859 0.97 KDM4E (0.38) ALDH1A1KDM4E
SCHEMBL595872 0.88 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL1463656 0.87 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL11030411 0.84 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL152148 0.83 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL7783728 0.81 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL14759776 0.81 ALDH1A1 (0.38) ALDH1A1KDM4E

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4622393-A 3-vinyl-cephalosporins and their preparations RHONE-POULENC INDUSTRIES (FR) 1986-11-11 US claimed
EP-0053538-B1 VINYL-3 CEPHALOSPORIN DERIVATIVES AND THEIR PREPARATION RHONE-POULENC SANTE (FR) 1986-03-12 EP claimed
EP-0073701-B1 SMECTIC LIQUID CRYSTAL DISPLAY DEVICE THOMSON-CSF (FR) 1986-01-02 EP claimed
EP-0072757-B1 CEPHALOSPORIN DERIVATIVES AND THEIR PREPARATION RHONE-POULENC SANTE (FR) 1985-11-06 EP claimed
EP-0053540-B1 CEPHALOSPORIN DERIVATIVES AND THEIR PREPARATION RHONE-POULENC SANTE (FR) 1985-08-14 EP claimed
US-4520193-A Cephalosporin derivatives RHONE-POULENC INDUSTRIES (FR) 1985-05-28 US claimed
EP-0053962-B1 CEPHALOSPORIN DERIVATIVES AND THEIR PREPARATION RHONE-POULENC SANTE (FR) 1985-03-13 EP claimed
EP-0053541-B1 OXACEPHALOSPORINS AND THEIR PREPARATION RHONE-POULENC SANTE (FR) 1985-02-13 EP claimed
EP-0053961-B1 THIOVINYL-3-CEPHALOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC SANTE (FR) 1984-10-24 EP claimed
EP-0053071-B1 OXACEPHALOSPORINS, THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THEM RHONE-POULENC SANTE (FR) 1984-10-10 EP claimed
EP-0053537-A1 Vinyl-3 cephalosporin derivatives and their preparation RHONE-POULENC SANTE (FR) 1982-06-09 EP claimed
EP-0053542-A1 Cephalosporin derivatives, their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1982-06-09 EP claimed
EP-0053540-A1 Cephalosporin derivatives and their preparation RHONE-POULENC SANTE (FR) 1982-06-09 EP claimed
EP-0053541-A1 Oxacephalosporins and their preparation RHONE-POULENC SANTE (FR) 1982-06-09 EP claimed
EP-0053072-A1 Oxacephalosporins and their preparation RHONE-POULENC SANTE (FR) 1982-06-02 EP claimed
EP-0053073-A1 Oxacephalosporins and their preparation RHONE-POULENC SANTE (FR) 1982-06-02 EP claimed
EP-0053071-A1 Oxacephalosporins, their preparation and therapeutic agents containing them RHONE-POULENC SANTE (FR) 1982-06-02 EP claimed
EP-0053074-A1 Cephalosporin derivatives and their preparation RHONE-POULENC SANTE (FR) 1982-06-02 EP claimed
US-4307233-A ANTIBACTERIAL AGENTS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 US claimed
US-4307230-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 US claimed