SCHEMBL28814531

SCHEMBL28814531

C=Cc1cccc2ccc3c4ccc5ccccc5c4ccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 2/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
HPRT1 P00492 3/20 0.52
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
CYP2A6 P11509 1/20 0.44
PAX8 Q06710 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
GRIN2D O15399 2/20 0.38

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
SCHEMBL16487171 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL29891066 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL75829 0.86 HPRT1 (0.58) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL2701066 0.86 HPRT1 (0.58) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL28650536 0.86 HSD17B10 (0.50) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL9837636 0.84 ALDH1A1 (0.54) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL16180494 0.82 ALDH1A1 (0.46) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL31192241 0.82 ALDH1A1 (0.46) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL29470186 0.81 ALDH1A1 (0.54) HSD17B10ALDH1A1CYP1A2THRBHPGD
SCHEMBL30363267 0.81 ALDH1A1 (0.54) HSD17B10ALDH1A1CYP1A2THRBHPGD

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
CN-104140485-A Diesel flowing improver and preparing method and application thereof BEIJING XINGYOU FENGKE TECHNOLOGY DEV CO LTD 2014-11-12 CN disclosed
CN-104140486-A Diesel fuel additive and preparing method and application thereof BEIJING XINGYOU CHEMICAL CO LTD 2014-11-12 CN disclosed