SCHEMBL9188359

SCHEMBL9188359

CCOC(=O)C(CC#CCC(C(C)=O)C(=O)OCC)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP8 P22894 1/20 0.34
TRPA1 O75762 1/20 0.33
POLB P06746 1/20 0.33
GLO1 Q04760 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL28017515 0.88 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9190349 0.83 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10TSHRTDP1
SCHEMBL9023602 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL20522498 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11654892 0.81 PPARG (0.42) ALDH1A1LMNAMGAMGAASI
SCHEMBL9186422 0.80 MME (0.36) ALDH1A1MGAMGAASIMGAM2
SCHEMBL28474376 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL856078 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8747403 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL15551443 0.79 GRIK1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM

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-0440251-B1 Process for preparing optically active cyclopentenones SUMITOMO CHEMICAL CO (JP) 1995-09-06 EP disclosed
US-5191109-A Process for preparing optically active cyclopentenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-02 US disclosed
EP-0440251-A2 Process for preparing optically active cyclopentenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-07 EP disclosed