SCHEMBL17403186

SCHEMBL17403186

CCCCOc1ccc2c(CC(=O)OC)cc(=O)oc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.76
ALDH1A1 P00352 10/20 0.76
HPGD P15428 7/20 0.76
GAA P10253 3/20 0.66
GLA P06280 1/20 0.66
HSD17B10 Q99714 3/20 0.62
RAB9A P51151 3/20 0.62
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
LCK P06239 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 3/20 0.56
PKM P14618 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 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
SCHEMBL15963945 0.89 KDM4E (0.69) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL29423665 0.80 ALDH1A1 (0.55) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL18154598 0.80 ALDH1A1 (0.55) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL14394953 0.80 ALDH1A1 (0.71) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL14564349 0.80 ALDH1A1 (0.76) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL533173 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL17403187 0.80 KDM4E (0.57) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL7919714 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL7919717 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL15963909 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160003836-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-01-07 US disclosed