SCHEMBL6283664

SCHEMBL6283664

O=[C]c1ccc2cc3ccccc3cc2c1[C]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 4/20 0.40
HIF1A Q16665 2/20 0.40
CYP1B1 Q16678 1/20 0.40
KDM4E B2RXH2 5/20 0.38
GAA P10253 4/20 0.38
CYP1A2 P05177 3/20 0.35
HPGD P15428 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP2A6 P11509 1/20 0.34
MEN1 O00255 2/20 0.34
GLA P06280 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 3/20 0.33
CYP3A4 P08684 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL4893709 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL3441131 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL10825061 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL194326 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL27945645 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL1920795 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL7944103 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL444302 0.73 CA1 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL9410288 0.72 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL10535180 0.71

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-6916481-B1 Active-substance vector multiparticulate system, production and use thereof Chimie, Rhodia (FR) 2005-07-12 US disclosed