SCHEMBL6264697

SCHEMBL6264697

CC(Sc1ccc(C(=O)O)c(C(=O)O)c1)Sc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 2/20 0.44
APEX1 P27695 1/20 0.44
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
GRM4 Q14833 1/20 0.42
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
DTYMK P23919 1/20 0.39

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
SCHEMBL11723811 0.78 MCL1 (0.71) ALDH1A1MCL1KDM4EAPEX1HSD17B10
SCHEMBL29439092 0.77 KDM4E (0.64) ALDH1A1MCL1KDM4EAPEX1HSD17B10
SCHEMBL261343 0.77 KDM4E (0.64) ALDH1A1MCL1KDM4EAPEX1HSD17B10
SCHEMBL9206001 0.77 DTYMK (0.58) ALDH1A1MCL1KDM4EAPEX1HSD17B10
SCHEMBL29404402 0.77 KDM4E (0.64) ALDH1A1MCL1KDM4EAPEX1HSD17B10
SCHEMBL1018879 0.77 TSHR (0.52) ALDH1A1MCL1KDM4EHSD17B10CYP2C9
SCHEMBL2363013 0.75 APEX1 (0.67) ALDH1A1MCL1KDM4EAPEX1HSD17B10
SCHEMBL13346848 0.75 KDM4E (0.49) ALDH1A1MCL1KDM4EAPEX1HSD17B10
SCHEMBL22336405 0.75 APEX1 (0.67) ALDH1A1MCL1KDM4EAPEX1HSD17B10
SCHEMBL28680854 0.75 KDM4E (0.62) ALDH1A1MCL1KDM4EAPEX1HSD17B10

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
WO-2005087186-A1 METHOD FOR STYLING HAIR BY APPLYING A COSMETIC COMPOSITION CONTAINING A CRYSTALLINE OR SEMI-CRYSTALLINE POLYMER AND CONTACTING THE HAIR WITH A HEATING IRON L'OREAL (FR) 2005-09-22 WO disclosed