SCHEMBL9506887

SCHEMBL9506887

[CH2]CC(C)=CCCC(C)=CCOC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
ALOX15 P16050 1/20 0.71
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PGGT1B P53609 1/20 0.47
PTPN1 P18031 1/20 0.46
TRPV1 Q8NER1 2/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL9510628 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL9506883 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL9510631 1.00 ALDH1A1 (0.71) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL8846504 0.89 ALDH1A1 (0.57) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL8846506 0.89 ALDH1A1 (0.57) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL11410939 0.85 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL1301765 0.85 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL806928 0.85 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL11404530 0.85 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL11404533 0.85 ALDH1A1 (0.96) ALDH1A1ALOX15FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282914-B1 PROCESS FOR PREPARING CHLORINATED OLEFINS KURARAY CO., LTD. (JP) 1993-09-29 EP disclosed
US-4827056-A HYPOCHLOROUS ACID KURARAY COMPANY LTD. (JP) 1989-05-02 US disclosed
EP-0282914-A2 Process for preparing chlorinated olefins KURARAY CO., LTD. (JP) 1988-09-21 EP disclosed