SCHEMBL28935971

SCHEMBL28935971

CCCCC(CC)CNCn1nc2cccc(C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
NPY5R Q15761 1/20 0.34
XBP1 P17861 1/20 0.34
PPARG P37231 1/20 0.34
NCOA3 Q9Y6Q9 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
SCHEMBL25273084 0.81 ALDH1A1 (0.34) ALDH1A1TSHRKDM4EKMT2ASMN1; SMN2
SCHEMBL28935906 0.78 TSHR (0.44) ALDH1A1TSHRCYP3A4KDM4EKMT2A
SCHEMBL5162824 0.75 GRM2 (0.41) ALDH1A1TSHRCYP3A4KDM4EKMT2A
O-Xylene SCHEMBL17007543 0.73 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4KDM4EKMT2A
SCHEMBL728570 0.71 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4KDM4EKMT2A
SCHEMBL30075474 0.68 SLC9A1 (0.55) ALDH1A1TSHRCYP3A4KDM4EPOLB
SCHEMBL2245120 0.68 SLC9A1 (0.55) ALDH1A1TSHRCYP3A4KDM4EPOLB
SCHEMBL2580465 0.68 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4KDM4EKMT2A
SCHEMBL11108489 0.68 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4KDM4EKMT2A
SCHEMBL28633712 0.68 CYP4Z1 (0.44) ALDH1A1TSHRCYP3A4KDM4EKMT2A

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