SCHEMBL4893709

SCHEMBL4893709

O=[C]c1c2ccccc2cc2cc3ccccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HIF1A Q16665 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2A P28223 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAD52 P43351 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL1920795 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL6283664 0.82 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL5211903 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL10825061 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL9410288 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL1155254 0.76 APP (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL194326 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL14165957 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL3245816 0.74 HPRT1 (0.37) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL8829831 0.74 APP (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044149-A1 Polymerizable Composition TOYO INK MFG. CO., LTD. (JP) 2008-02-21 US disclosed
EP-1816152-A1 POLYMERIZABLE COMPOSITION TOYO INK MFG. CO., LTD. (JP) 2007-08-08 EP disclosed