SCHEMBL22635014

SCHEMBL22635014

Cc1ccc2c(c1)-c1cccc3cccc-2c13

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 3/20 0.58
HSD17B10 Q99714 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
CASP1 P29466 3/20 0.58
CASP7 P55210 2/20 0.58
HPGD P15428 2/20 0.58
HIF1A Q16665 2/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.47
PABPC1 P11940 1/20 0.47
DNMT1 P26358 1/20 0.47
ELANE P08246 1/20 0.47
CYP2A6 P11509 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CES2 O00748 1/20 0.43
BCHE P06276 1/20 0.43
CES1 P23141 1/20 0.43

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
Fluoranthene SCHEMBL28885869 0.83 CYP2A6 (0.68) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL19519991 0.81 ELANE (0.65) ALDH1A1TSHRHSD17B10ELANECYP2A6
SCHEMBL6162366 0.81 ELANE (0.65) ALDH1A1TSHRHSD17B10ELANECYP2A6
SCHEMBL21734529 0.80 MAOA (0.56) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL458671 0.79 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL9466398 0.78 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL1134706 0.78 MAOA (0.55) ALDH1A1TP53CYP3A4ELANECYP2A6
SCHEMBL1134729 0.78 MAOA (0.55) ALDH1A1TP53CYP3A4ELANECYP2A6
Fluoranthene SCHEMBL8813627 0.77 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL17993825 0.77 MAOB (0.39) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227625-B2 Composite materials comprising mechanical ligands NANOCORE APS (DK) 2025-02-18 US disclosed
EP-4119598-A1 NANOCOMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS Nanocore ApS (DK) 2023-01-18 EP disclosed
EP-3737711-B1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2022-04-06 EP disclosed
EP-3737711-A1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS Nanocore Aps (DK) 2020-11-18 EP disclosed
US-20200354220-A1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2020-11-12 US disclosed
CN-111868146-A Composite materials comprising mechanical ligands 纳诺科尔有限公司 2020-10-30 CN disclosed