SCHEMBL23633201

SCHEMBL23633201

CCCCC(CC)CN(CC(CC)CCCC)C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 5/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 3/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL15238199 0.84 CA2 (0.50) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL17363802 0.82 CA2 (0.48) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL7789131 0.82 CA2 (0.48) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL15951763 0.81 CA2 (0.49) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL9307909 0.81 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL22444395 0.81 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL7789126 0.81 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1
Ammonia Solution, Strong SCHEMBL22444387 0.81 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL23748009 0.81 ALDH1A1 (0.50) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL17226442 0.81 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929668-B (Meth) acrylate compound having isocyanate group and method for producing same 株式会社力森诺科 2024-08-20 CN claimed
CN-114929668-A (meth) acrylate compound having isocyanate group and method for producing same 昭和电工株式会社 2022-08-19 CN claimed
WO-2021141002-A1 (METH)ACRYLIC ACID ESTER COMPOUND HAVING ISOCYANATE GROUP, AND METHOD FOR PRODUCING SAME 昭和電工株式会社 2021-07-15 WO claimed
CN-114929668-B (Meth) acrylate compound having isocyanate group and method for producing same 株式会社力森诺科 2024-08-20 CN disclosed
CN-114929668-A (meth) acrylate compound having isocyanate group and method for producing same 昭和电工株式会社 2022-08-19 CN disclosed
WO-2021141002-A1 (METH)ACRYLIC ACID ESTER COMPOUND HAVING ISOCYANATE GROUP, AND METHOD FOR PRODUCING SAME 昭和電工株式会社 2021-07-15 WO disclosed