SCHEMBL28075894

SCHEMBL28075894

CCCCC(CC)CCCC(CCC)CC(CC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 5/20 0.48
TSHR P16473 4/20 0.48
CA2 P00918 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4270252 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4271369 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4268639 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4268477 0.93 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4279316 0.91 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4273932 0.91 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4654193 0.90 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8078662 0.90 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4269643 0.90 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4276814 0.88 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105263582-B Comprising oil body, fatty acid, amino acid surfactant and N- methyl-N- acyl glucamides composition 克拉里安特国际有限公司 2018-12-21 CN disclosed
CN-104540494-B N methyl Ns acyl glucamides as solubilizer purposes 科莱恩金融(BVI)有限公司 2017-10-24 CN disclosed
CN-103747776-B Cosmetic, dermatological or pharmaceutical composition comprising an isosorbide diester and a UV filter 克拉里安特国际有限公司 2017-06-09 CN disclosed
CN-103313932-B Compositions comprising hydrogen peroxide or hydrogen peroxide-releasing substances 科莱恩金融(BVI)有限公司 2016-11-23 CN disclosed
CN-103492438-B The polymer of crosslinking 科莱恩金融(BVI)有限公司 2016-10-05 CN disclosed
CN-103492437-B Based on sulfonic acid, amide and the polymer of specific cross-linking agent 科莱恩金融(BVI)有限公司 2016-08-24 CN disclosed
CN-103717074-B Composition comprising isosorbide monoester and alcohol comprising at least one aromatic group 克拉里安特国际有限公司 2016-07-13 CN disclosed
CN-103717073-B Comprise isosorbide monoesters and the compositions of aliphatic series vicinal diamines 克拉里安特国际有限公司 2016-06-29 CN disclosed