SCHEMBL22759934

SCHEMBL22759934

CC(C)(C)c1ccc(OC(=O)CCc2ccccc2)c(C2C(=O)Oc3ccc(C(C)(C)C)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.41
HPGD P15428 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C2 P52895 1/20 0.39
APP P05067 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL30172623 0.87 GAA (0.40) HPGDALOX5GAA
SCHEMBL12231014 0.87 GAA (0.40) HPGDALOX5GAA
SCHEMBL30875162 0.87 GAA (0.40) HPGDALOX5GAA
SCHEMBL12456277 0.87 MAPT (0.35) AKR1C3HPGDALOX5GAA
SCHEMBL30172502 0.82 MAPT (0.46) HPGDTDP1GAA
SCHEMBL30992109 0.82 MAPT (0.46) HPGDTDP1GAA
SCHEMBL12345417 0.82 MAPT (0.46) HPGDTDP1GAA
SCHEMBL21183327 0.79 ALOX15 (0.39) AKR1C3AKR1C2
SCHEMBL22068548 0.75 MAPT (0.52) HPGDTDP1GAA
SCHEMBL12273588 0.73 MAPT (0.36) HPGDALOX5GAA

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-20200385570-A1 POLYCARBONATE COMPOSITIONS BASF SE (DE) 2020-12-10 US disclosed