SCHEMBL9908331

SCHEMBL9908331

COC(=O)C1(C(F)(F)F)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
DGAT1 O75907 1/20 0.41
MAPT P10636 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RIPK1 Q13546 2/20 0.33
USP21 Q9UK80 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
Hydrochloric Acid SCHEMBL27952604 0.98 NPSR1 (0.42) NPSR1DGAT1MAPTCYP4F2CYP4A11
SCHEMBL9908329 0.98 NPSR1 (0.45) NPSR1DGAT1MAPTCYP4F2CYP4A11
SCHEMBL1012254 0.94 DGAT1 (0.42) NPSR1DGAT1MAPTCYP4F2CYP4A11
SCHEMBL978083 0.89 DGAT1 (0.50) NPSR1DGAT1MAPTCYP4F2CYP4A11
SCHEMBL762180 0.81 NPSR1 (0.45) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL14557008 0.80 DGAT1 (0.34) DGAT1CYP4F2CYP4A11RIPK1TSHR
SCHEMBL11377177 0.79 NPSR1 (0.44) NPSR1MAPTCYP4F2CYP4A11CYP3A4
Hydrochloric Acid SCHEMBL23727124 0.79 DGAT1 (0.37) NPSR1DGAT1KMT2A
SCHEMBL13480695 0.79 DGAT1 (0.37) NPSR1DGAT1MAPT
SCHEMBL15925090 0.78 NPSR1 (0.47) NPSR1MAPTCYP4F2CYP4A11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
CN-112805267-A Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2021-05-14 CN disclosed
US-8198016-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20090286188-A1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-19 US disclosed