SCHEMBL8214745

SCHEMBL8214745

[AlH3].c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
HSD17B10 Q99714 8/20 0.67
HPGD P15428 6/20 0.67
CYP1A2 P05177 5/20 0.67
THRB P10828 1/20 0.67
TSHR P16473 8/20 0.56
CYP3A4 P08684 4/20 0.56
CYP1A1 P04798 1/20 0.56
CYP1B1 Q16678 1/20 0.56
ERBB2 P04626 1/20 0.50
FYN P06241 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
AHR P35869 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 3/20 0.45
ATM Q13315 1/20 0.45
CYP2A6 P11509 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CASP1 P29466 2/20 0.44

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
SCHEMBL195498 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL6538859 0.96 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL634848 0.96 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29906043 0.96 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL26440 0.96 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL21885745 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL21143411 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL20994180 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL21885748 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCYP1A2THRB
Fluoride SCHEMBL17821278 0.93 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDCYP1A2THRB

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-6022911-A COATED WITH A POLYMER POLYMERIZED BY IN SITU POLYMERIZATION, THEREBY THE ADHESION OF THE COLOR PIGMENT TO THE SUBSTRATE TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2000-02-08 US disclosed
US-5912283-A NONMETALLIC COLOR PIGMENT SURFACE TREATED WITH AGENT SELECTEDFROM MONNOBASIC AROMATIC CARBOXYLIC ACID OR AMINO COMPOUND;AUTOMOBILE NETALLIC FINISHES, ELECTRICAL ARTICLES, TOOLS,DECORATIVE PLASTICS FINISHES, PRINTING INK TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 1999-06-15 US disclosed