SCHEMBL25890673

SCHEMBL25890673

CON(C(=O)c1ccccc1)[C@@H](C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
MLYCD O95822 1/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 1/20 0.38
CES1 P23141 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8396776 0.82 TSHR (0.45) POLBTSHRMLYCDMEN1PLA2G1B
SCHEMBL2790841 0.79 KMT2A (0.44) POLBTSHRMLYCDMEN1PLA2G1B
SCHEMBL2792270 0.79 KMT2A (0.44) POLBTSHRMLYCDMEN1PLA2G1B
SCHEMBL2791618 0.79 KMT2A (0.44) POLBTSHRMLYCDMEN1PLA2G1B
SCHEMBL25890667 0.77 POLB (0.45) POLBMLYCDNPSR1ALDH1A1TRPM8
SCHEMBL25890850 0.75 PGR (0.43) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL2794043 0.72 HPGD (0.39) POLBTSHRMEN1PLA2G1BHTT
SCHEMBL2794802 0.72 HPGD (0.39) POLBTSHRMEN1PLA2G1BHTT
SCHEMBL12984864 0.71 HPGD (0.38) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL9877218 0.71 POLB (0.58) POLBALDH1A1TDP1

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