SCHEMBL10565705

SCHEMBL10565705

Cc1cc(Cn2c(=O)n(Cc3cc(C4CCCCC4)c(O)c(C4CCCCC4)c3)c(=O)n(Cc3cc(C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 5/20 0.41
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 3/20 0.36
THRB P10828 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 2/20 0.34
PDE5A O76074 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10566157 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL10565869 0.98 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL10565985 0.98 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL10566571 0.98 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL10565112 0.98 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL9763458 0.95 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL10563569 0.95 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL10567135 0.95 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL9763402 0.95 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1GAAHTT
SCHEMBL9763791 0.93 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1GAAHTT

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-4863982-A HEAT, LIGHT AND OXIDATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed