SCHEMBL6933333

SCHEMBL6933333

CCCCC(CC)CNCn1nnc2cc(C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HCAR3 P49019 4/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
SLC9A1 P19634 5/20 0.36
TLR8 Q9NR97 1/20 0.35
NAMPT P43490 1/20 0.34
GPR139 Q6DWJ6 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28935877 0.91 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL729724 0.85 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRHCAR3KDM4E
SCHEMBL2245120 0.84 SLC9A1 (0.55) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL30075474 0.84 SLC9A1 (0.55) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL729723 0.81 HCAR3 (0.39) HCAR3POLBMAPTSLC9A1TLR8
SCHEMBL24426545 0.79 SLC9A1 (0.45) ALDH1A1HCAR3POLBCYP1A2CYP2C9
SCHEMBL28935906 0.77 TSHR (0.44) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL5162824 0.77 GRM2 (0.41) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL909898 0.75 SLC9A1 (0.60) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL19848522 0.74 SLC9A1 (0.64) HCAR3POLBMAPTSLC9A1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443325-B Lubricant composition and use thereof 克鲁勃润滑剂慕尼黑两合欧洲公司 2024-07-09 CN disclosed
CN-115003775-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-03-19 CN disclosed
CN-114787288-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-02-13 CN disclosed
CN-117501469-A Composition for forming thin film for electrode of energy storage device 日产化学株式会社 2024-02-02 CN disclosed
CN-116601262-A Heat transfer fluid compositions with improved thermal stability KD精细化工有限公司 2023-08-15 CN disclosed
CN-116472324-A Cooling liquid composition for electric automobile KD精细化工有限公司 2023-07-21 CN disclosed
EP-4143277-A1 LUBRICANT COMPOSITION AND USE THEREOF Klüber Lubrication München SE & Co. KG (DE) 2023-03-08 EP disclosed
EP-4143281-A1 LUBRICANT COMPOSITION AND USE THEREOF Klüber Lubrication München SE & Co. KG (DE) 2023-03-08 EP disclosed
CN-115443322-A Lubricant composition and use thereof 克鲁勃润滑剂慕尼黑两合欧洲公司 2022-12-06 CN disclosed
CN-115443325-A Lubricant composition and use thereof 克鲁勃润滑剂慕尼黑两合欧洲公司 2022-12-06 CN disclosed
CN-115315502-A Grease composition for resin lubrication 协同油脂株式会社 2022-11-08 CN disclosed
CN-115003775-A Colorants for heat transfer fluids and compositions containing the same KD精细化工有限公司 2022-09-02 CN disclosed
CN-114787288-A Colorant for heat transfer fluid and composition comprising same KD精细化工有限公司 2022-07-22 CN disclosed
CN-108292539-B Cable comprising a foamed layer comprising a polyolefin polymer and a blowing agent 博里利斯股份公司 2020-05-22 CN disclosed
EP-0976813-B1 Borate containing additive for manual transmission lubricant being stable to hydrolysis and providing high synchromesh durability CHEVRON ORONITE SA (FR) 2003-12-10 EP disclosed
EP-0976813-A1 Borate containing additive for manual transmission lubricant being stable to hydrolysis and providing high synchromesh durability Chevron Chemical S.A. (FR) 2000-02-02 EP disclosed