SCHEMBL28935876

SCHEMBL28935876

CCCCC(CC)Cc1cc(C)cc2c1nnn2CN

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
PPARG P37231 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL4043773 0.84 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL14332180 0.84 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL28573878 0.82 GRM2 (0.43) ALDH1A1TDP1KDM4EMEN1GAA
SCHEMBL28935093 0.82 ALDH1A1 (0.31) ALDH1A1TDP1KDM4EMEN1GAA
SCHEMBL30014300 0.81 GRM2 (0.34) ALDH1A1TDP1KDM4EMEN1GAA
SCHEMBL5162819 0.81 GRM2 (0.34) ALDH1A1TDP1KDM4EMEN1GAA
SCHEMBL28495537 0.77 GRM2 (0.32) ALDH1A1TDP1KDM4EMEN1GAA
SCHEMBL6933331 0.77 GRM2 (0.35) ALDH1A1TDP1KDM4EMEN1GAA
SCHEMBL20942794 0.74 GRM2 (0.42) ALDH1A1TDP1KDM4EMEN1GAA
Methane SCHEMBL25437035 0.68 GRM2 (0.34) ALDH1A1KDM4EMEN1GAAHPGD

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-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-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-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