SCHEMBL16615485

SCHEMBL16615485

CCC(C)NS(=O)(=O)C1=CC=C(NC(=O)C(CC)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.49
CNR1 P21554 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
KCNQ2 O43526 6/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44

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
SCHEMBL16615530 0.79 ALDH1A1 (0.70) ALDH1A1LMNAMAPTHTTCNR1
SCHEMBL19074542 0.67 ALDH1A1 (0.82) ALDH1A1LMNAMAPTHTTCRHBP
SCHEMBL7752354 0.67 ALDH1A1 (0.82) ALDH1A1LMNAMAPTHTTCRHBP
SCHEMBL16615822 0.66 ALDH1A1 (0.66) ALDH1A1LMNAMAPTHTTCNR1
SCHEMBL9138268 0.65 ALDH1A1 (0.68) ALDH1A1LMNAMAPTHTTCRHBP
SCHEMBL16615850 0.65 SCN3A (0.65) ALDH1A1LMNAHTTCRHBPCRHR2
SCHEMBL16615489 0.65 LMNA (0.70) ALDH1A1LMNAMAPTHTTGPR55
Acetic Acid SCHEMBL27922009 0.65 ALDH1A1 (0.77) ALDH1A1LMNAMAPTHTTCRHBP
SCHEMBL16615516 0.65 SMN1; SMN2 (0.65) ALDH1A1LMNAMAPTHTTCNR1
SCHEMBL18233524 0.64 ALDH1A1 (0.76) ALDH1A1LMNAMAPTHTTCRHBP

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
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 WO disclosed