SCHEMBL5144450

SCHEMBL5144450

C=C/C=C/Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 2/20 0.44
PLIN1 O60240 1/20 0.44
HTT P42858 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
MAPK1 P28482 1/20 0.33
ALOX15 P16050 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
SCHEMBL5144455 1.00 ALDH1A1 (0.44) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL9517366 0.79 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL9517373 0.79 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL9517370 0.79 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL30672016 0.76 ALDH1A1 (0.48) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL11033348 0.75 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL299231 0.75 MAPT (0.41) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL11033350 0.75 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1HPGD
Phenyl Vinyl Sulfide SCHEMBL1331428 0.74
Phenyl Vinyl Sulfide SCHEMBL230858 0.74

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028388-A2 USE OF MEK1 INHIBITORS AS PROTECTIVE AGENTS AGAINST DAMAGE DUE TO ISCHEMIA THE GENERAL HOSPITAL CORPORATION (US) 2002-04-11 WO claimed
US-6319955-B1 AND A NON-MEK1 INHIBITOR ANTI-STROKE AGENT SELECTED FROM THE GROUP CONSISTING OF N-METHYL-D-ASPARTATE (NMDA) RECEPTOR ANTAGONISTS, IMMUNOSUPPRESSANTS AND CASPASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2001-11-20 US claimed
EP-1509614-A4 MAP-KINASE INHIBITORS AS REGULATORS OF TUMOR-ASSOCIATED ANTIGEN EXPRESSION GEN HOSPITAL CORP (US) 2007-09-12 EP disclosed
EP-1509614-A1 MAP-KINASE INHIBITORS AS REGULATORS OF TUMOR-ASSOCIATED ANTIGEN EXPRESSION THE GENERAL HOSPITAL CORPORATION (US) 2005-03-02 EP disclosed
WO-2004087941-A1 MAP-KINASE INHIBITORS AS REGULATORS OF TUMOR-ASSOCIATED ANTIGEN EXPRESSION THE GENERAL HOSPITAL CORPORATION (US) 2004-10-14 WO disclosed
WO-2002028388-A2 USE OF MEK1 INHIBITORS AS PROTECTIVE AGENTS AGAINST DAMAGE DUE TO ISCHEMIA THE GENERAL HOSPITAL CORPORATION (US) 2002-04-11 WO disclosed
US-6319955-B1 AND A NON-MEK1 INHIBITOR ANTI-STROKE AGENT SELECTED FROM THE GROUP CONSISTING OF N-METHYL-D-ASPARTATE (NMDA) RECEPTOR ANTAGONISTS, IMMUNOSUPPRESSANTS AND CASPASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2001-11-20 US disclosed