SCHEMBL28935877

SCHEMBL28935877

CCCCC(CC)CNCn1nnc2ccc(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
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
SLC9A1 P19634 5/20 0.36
TLR8 Q9NR97 1/20 0.35
CYP4Z1 Q86W10 5/20 0.34
TLR7 Q9NYK1 1/20 0.34
PFKFB3 Q16875 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPR139 Q6DWJ6 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
SCHEMBL6933333 0.91 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL2245120 0.84 SLC9A1 (0.55) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL30075474 0.84 SLC9A1 (0.55) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL25222699 0.81 SLC9A1 (0.36) POLBCYP1A2CYP2C9CYP2C19SLC9A1
SCHEMBL729724 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL28935906 0.77 TSHR (0.44) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL5162824 0.77 GRM2 (0.41) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL909898 0.75 SLC9A1 (0.60) ALDH1A1CYP3A4TSHRKDM4EPOLB
SCHEMBL19911481 0.74 SLC9A1 (0.64) POLBSLC9A1TLR8
SCHEMBL21304953 0.73 SLC9A1 (0.57) ALDH1A1TSHRPOLBCYP1A2CYP2C9

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