SCHEMBL8564442

SCHEMBL8564442

OC1c2ccc3ccccc3c2C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 4/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 4/20 0.43
HPRT1 P00492 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.40
HIF1A Q16665 2/20 0.39

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
SCHEMBL7149656 0.72 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL12278773 0.72 KDM1A (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29941360 0.71 HPRT1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8972474 0.71 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL12258263 0.70 TAAR1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL14557371 0.70 KDM4E (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5971471 0.69 CYP1A2 (0.49) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL9994190 0.69 CYP2A6 (0.92) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11490806 0.68 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5999291 0.68 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1234774-C Flame-retardant resin composition POLYPLASTICS CO (JP) 2006-01-04 CN disclosed
CN-1444632-A Flame-retardant resin composition POLYPLASTICS CO (JP) 2003-09-24 CN disclosed
EP-0533931-B1 FABRIC MADE FROM BLENDED YARN COMPRISING AROMATIC POLYAMIDE FIBER AND POLYESTER FIBER TEIJIN LTD (JP) 1998-01-21 EP disclosed
US-5356700-A Flame-resistant clothing TEIJIN LIMITED (JP) 1994-10-18 US disclosed
EP-0533931-A1 FABRIC MADE FROM BLENDED YARN COMPRISING AROMATIC POLYAMIDE FIBER AND POLYESTER FIBER TEIJIN LIMITED (JP) 1993-03-31 EP disclosed