SCHEMBL6027170

SCHEMBL6027170

OOc1cccc2c1ccc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.58
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
PAX8 Q06710 1/20 0.43
CYP1A2 P05177 4/20 0.43
HPGD P15428 2/20 0.43
HIF1A Q16665 1/20 0.43
CYP1B1 Q16678 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 2/20 0.41
PGR P06401 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR1B P28222 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3632375 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL31681883 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL11882375 0.86 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL446558 0.83 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL28188294 0.82 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL441360 0.81 HPRT1 (0.61) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL441525 0.80 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2778935 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1005616 0.79 MAPT (0.59) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1141751 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4533766-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-08-06 US claimed
CN-108186900-B A compound preparation containing Artemisia Selengensis for treating burn and scald, and its preparation method 山东第一医科大学(山东省医学科学院) 2020-12-01 CN disclosed
CN-108186901-B A compound preparation containing Artemisia Selengensis for treating burn and scald, and its preparation method 山东第一医科大学(山东省医学科学院) 2020-12-01 CN disclosed
US-7056965-B2 Polyoxymethylene resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2006-06-06 US disclosed
US-20020183430-A1 Polyoxymethylene resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-12-05 US disclosed
US-3979320-A Liquid crystal composition HODOGAYA CHEMICAL CO., LTD. (JA) 1976-09-07 US disclosed