SCHEMBL17403187

SCHEMBL17403187

CC(=O)Cc1cc(=O)oc2cc(OCCCO)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
LCK P06239 1/20 0.57
ALDH1A1 P00352 8/20 0.56
HPGD P15428 6/20 0.56
PKM P14618 2/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 3/20 0.54
GAA P10253 1/20 0.54
USP2 O75604 1/20 0.52
MAOB P27338 4/20 0.52
ACHE P22303 1/20 0.52
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL15963909 0.96 KDM4E (0.56) KDM4ELCKALDH1A1HPGDPKM
SCHEMBL17403176 0.89 LCK (0.69) KDM4ELCKALDH1A1HPGDPKM
SCHEMBL15689721 0.86 MAOB (0.62) KDM4EALDH1A1HPGDPKMMEN1
SCHEMBL11946745 0.84 ALDH1A1 (0.67) KDM4EALDH1A1HPGDPKMMEN1
SCHEMBL12221062 0.83 KDM4E (0.80) KDM4ELCKALDH1A1HPGDMEN1
SCHEMBL15963915 0.82 LCK (0.70) KDM4ELCKALDH1A1HPGDPKM
SCHEMBL6591353 0.81 MAOB (0.70) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17403186 0.80 KDM4E (0.76) KDM4ELCKALDH1A1HPGDPKM
SCHEMBL27582377 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15963945 0.78 KDM4E (0.69) KDM4ELCKALDH1A1HPGDPKM

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