SCHEMBL25890786

SCHEMBL25890786

CON[C@@H](c1cccs1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4084228 0.74 MAPT (0.44) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2832539 0.73 HPGD (0.42) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL25890717 0.72 MEN1 (0.51) L3MBTL1CYP1A2CYP3A4CYP2D6DRD3
SCHEMBL11379881 0.71 MAPT (0.44) POLBL3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL2830906 0.69 SLC6A3 (0.38) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL27770438 0.69 ALDH1A1 (0.37) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL11388906 0.69 MAPT (0.42) POLBL3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL25890721 0.69 LMNA (0.43) L3MBTL1NPSR1ALDH1A1HPGDRAB9A
SCHEMBL12261588 0.68 SLC6A3 (0.40) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9791528 0.68 MAPT (0.44) POLBL3MBTL1MAPTCYP1A2CYP3A4

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
EP-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 EP disclosed