SCHEMBL9765834

SCHEMBL9765834

CCOC(C)COS(=O)(=O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 8/20 0.40
NPSR1 Q6W5P4 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
HTR6 P50406 1/20 0.34
LMNA P02545 2/20 0.33
HCRTR2 O43614 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL10916647 0.82 MEN1 (0.41) KMT2AMEN1ESR1ESR2ATM
SCHEMBL5147546 0.81 ALDH1A1 (0.41) KMT2AMEN1ESR1ESR2ATM
SCHEMBL29083223 0.81 MEN1 (0.41) KMT2AMEN1ESR1ESR2ATM
SCHEMBL582357 0.80 KMT2A (0.44) KMT2AMEN1ESR1ESR2ATM
SCHEMBL4753846 0.80 MEN1 (0.39) KMT2AMEN1ESR1ESR2ATM
SCHEMBL10486326 0.80 ALDH1A1 (0.39) KMT2AMEN1ESR1ESR2ATM
SCHEMBL21114482 0.79 CA12 (0.38) KMT2AMEN1ESR1ESR2ALDH1A1
SCHEMBL6916197 0.78 KMT2A (0.41) KMT2AMEN1ESR1ESR2ATM
SCHEMBL140993 0.78 KMT2A (0.43) KMT2AMEN1ESR1ESR2ATM
SCHEMBL4990027 0.76 CYP1A2 (0.40) KMT2AMEN1ESR1ESR2ATM

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-5013863-A Learning enhancement CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed