SCHEMBL7707867

SCHEMBL7707867

C=C(C)/C=C/C/C(C)=C/COC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
PTPN1 P18031 2/20 0.40
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 2/20 0.30
MAPT P10636 2/20 0.30
USP2 O75604 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL7707869 1.00 ALDH1A1 (0.47) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL30984402 0.81 ALOX15 (0.44) ALDH1A1ALOX15PTPN1HSD17B10CYP3A4
SCHEMBL16207390 0.81 ALDH1A1 (0.39) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL11039021 0.79 ALDH1A1 (0.55) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL11039024 0.79 ALDH1A1 (0.55) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL28912720 0.77 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL8846504 0.72 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL8846506 0.72 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL7042897 0.71 FNTA (0.41) ALDH1A1PTPN1LMNAMAPT
SCHEMBL7042899 0.71 FNTA (0.41) ALDH1A1PTPN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11130730-A None JP disclosed
US-6348622-B1 CHEMICAL INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
JP-H11130730-A HALOGEN COMPOUND, TRIENE DERIVATIVE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1999-05-18 JP disclosed
EP-0900785-A2 Vitamin A related compounds and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-10 EP disclosed