SCHEMBL29112083

SCHEMBL29112083

Cc1c(F)ccc2c1ccc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.59
HSD17B10 Q99714 4/20 0.53
TSHR P16473 3/20 0.53
HPGD P15428 3/20 0.53
HIF1A Q16665 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
CASP1 P29466 1/20 0.53
RAB9A P51151 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.50
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 3/20 0.48
PAX8 Q06710 1/20 0.43
CYP1B1 Q16678 2/20 0.43
AR P10275 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL30070924 0.89 TSHR (0.60) HPRT1HSD17B10TSHRHPGDHIF1A
SCHEMBL5950477 0.89 TSHR (0.60) HPRT1HSD17B10TSHRHPGDHIF1A
Boric Acid SCHEMBL29263393 0.82 TSHR (0.52) HPRT1HSD17B10TSHRHPGDHIF1A
SCHEMBL7108062 0.78 TSHR (0.78) HPRT1HSD17B10TSHRHPGDHIF1A
SCHEMBL458566 0.78 TSHR (0.78) HPRT1HSD17B10TSHRHPGDHIF1A
SCHEMBL26190035 0.78 HPRT1 (0.64) HPRT1HSD17B10TSHRHPGDHIF1A
SCHEMBL31747510 0.78 TSHR (0.78) HPRT1HSD17B10TSHRHPGDHIF1A
SCHEMBL30257704 0.78 HPRT1 (0.64) HPRT1HSD17B10TSHRHPGDHIF1A
Chrysene SCHEMBL384031 0.76 HPRT1 (1.00) HPRT1HSD17B10TSHRHPGDHIF1A
Chrysene SCHEMBL9786466 0.76 HPRT1 (1.00) HPRT1HSD17B10TSHRHPGDHIF1A

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
CN-116924873-A Method for synthesizing 1-substituted phenanthrene compound by palladium-catalyzed o-halogenated benzoate decarbonylation 西北师范大学 2023-10-24 CN disclosed