SCHEMBL9013896

SCHEMBL9013896

CC(=O)OC/C=C(\C)COC=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 2/20 0.52
PTPN1 P18031 1/20 0.42
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL9013900 1.00 ALDH1A1 (0.52) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL9177634 0.90 ALDH1A1 (0.65) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL9177638 0.90 ALDH1A1 (0.65) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL8192773 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL11107871 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL10533277 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL28912720 0.77 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL6718094 0.74
SCHEMBL9013663 0.74 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL21856602 0.74 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527952-A Process for producing aldehyde derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
US-5424478-A Process for producing vitamin A derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-13 US disclosed