SCHEMBL25003698

SCHEMBL25003698

CCCCOCC(C)OCC(C)OC(=O)C(C)N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TLR2 O60603 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ LPAR1 Q92633 2/20 0.33
▸ LPAR3 Q9UBY5 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PLA2G2C Q5R387 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ ATM Q13315 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
SCHEMBL2249529 0.84 ALDH1A1 (0.41) TDP1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL17905231 0.84 TDP1 (0.47) TDP1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL487272 0.83 TDP1 (0.47) TDP1ALDH1A1USP2KDM4EALOX15
SCHEMBL895988 0.83 TDP1 (0.47) TDP1ALDH1A1USP2KDM4EALOX15
SCHEMBL19427363 0.80 LMNA (0.49) TDP1CYP3A4ALDH1A1MAPTATM
SCHEMBL27646116 0.80 TDP1 (0.40) TDP1CYP1A2CYP2C19ALDH1A1FAAH
SCHEMBL17377676 0.79 LMNA (0.51) TDP1ALDH1A1LPAR1LPAR3MAPT
SCHEMBL11111869 0.79 TDP1 (0.44) TDP1TLR2ALDH1A1USP2KDM4E
SCHEMBL887703 0.79 TDP1 (0.44) TDP1TLR2ALDH1A1USP2KDM4E
SCHEMBL503413 0.79 TDP1 (0.44) TDP1TLR2ALDH1A1USP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230038642-A1 ALDIMINES AND USES THEREOF BOSTIK SA (FR) 2023-02-09 — — US disclosed
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