SCHEMBL7040341

SCHEMBL7040341

C=C(C)C(Cl)CC/C(C)=C/CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.41
FNTB P49356 9/20 0.41
KDM1A O60341 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TRPA1 O75762 1/20 0.37
MAPT P10636 1/20 0.37
DHODH Q02127 1/20 0.35

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
SCHEMBL7040343 1.00 FNTA (0.41) FNTAFNTBKDM1AKMT2AMEN1
SCHEMBL9580515 0.88 KDM1A (0.41) FNTAFNTBKDM1AKMT2ADHODH
SCHEMBL9580517 0.88 KDM1A (0.41) FNTAFNTBKDM1AKMT2ADHODH
SCHEMBL10753905 0.81 KDM1A (0.39) FNTAFNTBKDM1AKMT2ADHODH
SCHEMBL9017084 0.80 ALDH1A1 (0.58) FNTAFNTB
SCHEMBL10653988 0.80 DHODH (0.48) FNTAFNTBKDM1AKMT2AMEN1
SCHEMBL10653982 0.80 DHODH (0.48) FNTAFNTBKDM1AKMT2AMEN1
SCHEMBL31402639 0.77 CBLB (0.37) FNTAFNTBKDM1AMAPTDHODH
SCHEMBL10732293 0.77 ALDH1A1 (0.34)
SCHEMBL10732290 0.77 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983998-B1 Tetraene derivative and process for producing the same SUMITOMO CHEMICAL CO (JP) 2003-03-26 EP disclosed
EP-1125921-A1 PROCESS FOR THE PREPARATION OF RETINOL AND INTERMEDIATES THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-08-22 EP disclosed
US-6211411-B1 SULFONE ALDEHYDE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-03 US disclosed
US-6160181-A Tetraene derivative and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0983998-A1 Tetraene derivative and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-08 EP disclosed