SCHEMBL6655006

SCHEMBL6655006

[Li]c1cccc2ccc3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.54
ALDH1A1 P00352 8/20 0.54
CYP1A2 P05177 7/20 0.54
HPGD P15428 5/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 6/20 0.50
CYP2A6 P11509 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
HPRT1 P00492 1/20 0.46
CYP3A4 P08684 4/20 0.46
CYP1B1 Q16678 2/20 0.46
CYP1A1 P04798 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
HIF1A Q16665 2/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 2/20 0.43
MAOA P21397 2/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
ACHE P22303 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
SCHEMBL1373960 0.93 HSD17B10 (0.58) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL1235563 0.80 CYP1A2 (0.48) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29585978 0.79 ALDH1A1 (0.53) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL238050 0.79 ALDH1A1 (0.53) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL535472 0.79 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL30374792 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29388002 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL535635 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29487823 0.79 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29613365 0.79 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDTHRB

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
JP-2004155659-A METHOD FOR PRODUCING 9-SPIROFLUORENE COMPOUND TOKUYAMA CORP 2004-06-03 JP disclosed