SCHEMBL9044602

SCHEMBL9044602

COc1ccc(/C=C/CC(=O)O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NFE2L2 Q16236 1/20 0.62
POLB P06746 1/20 0.58
GRIK1 P39086 1/20 0.56
GRIK2 Q13002 1/20 0.56
KMT2A Q03164 3/20 0.56
ABCG2 Q9UNQ0 2/20 0.56
MEN1 O00255 2/20 0.56
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP1B1 Q16678 1/20 0.56
SNCA P37840 1/20 0.55
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54

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
SCHEMBL9044613 1.00 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL13956393 0.88 POLB (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL30558537 0.86 BACE1 (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL17368762 0.86 BACE1 (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL17361604 0.86 BACE1 (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL17361606 0.86 BACE1 (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
Malonic Acid SCHEMBL27751245 0.83 NFE2L2 (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL5146748 0.82 PTGS1 (0.63) KDM4ESMN1; SMN2HPGDNFE2L2POLB
SCHEMBL9046973 0.82 HTR1A (0.63) KDM4EALDH1A1HPGDHSD17B10ABCG2
SCHEMBL9046978 0.82 HTR1A (0.63) KDM4EALDH1A1HPGDHSD17B10ABCG2

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
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed