SCHEMBL28033734

SCHEMBL28033734

CCCCON(CCCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.32
DNM1 Q05193 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ATM Q13315 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL9766741 0.90 DNM1 (0.40) TSHRALDH1A1CA1CA2DNM1
SCHEMBL27466833 0.89 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL4791083 0.86 DNM1 (0.42) TSHRALDH1A1CA1CA2DNM1
SCHEMBL2216829 0.85 ALDH1A1 (0.43) TSHRALDH1A1CA1LMNAALDH2
SCHEMBL6679948 0.84 DNM1 (0.46) TSHRALDH1A1CA1CA2DNM1
SCHEMBL2352064 0.80 DNM1 (0.42) TSHRALDH1A1CA1CA2DNM1
Hydrochloric Acid SCHEMBL9285166 0.80 DNM1 (0.42) TSHRALDH1A1CA1CA2DNM1
Hydrochloric Acid SCHEMBL9282868 0.80 DNM1 (0.42) TSHRALDH1A1CA1CA2DNM1
Hydrochloric Acid SCHEMBL9281009 0.80 DNM1 (0.42) TSHRALDH1A1CA1CA2DNM1
SCHEMBL6678479 0.80 DNM1 (0.42) TSHRALDH1A1CA1CA2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107018669-A The manufacture method of etchant and its bulking liquor, the method for coarsening surface of magnesium component and magnesium-resin composite body MEC股份有限公司 2017-08-04 CN disclosed
CN-105676601-A Pretreatment method of glass substrate used for forming etching mask 东京应化工业株式会社 2016-06-15 CN disclosed
CN-104914189-A Method for determining synthetical coloring agent in food WUZHOU INST FOR FOOD & DRUG CONTROL 2015-09-16 CN disclosed