SCHEMBL20246775

SCHEMBL20246775

CCC(CC)C(=O)Nc1c(C=O)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KCNJ11 Q14654 1/20 0.44
KDM4E B2RXH2 4/20 0.44
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 1/20 0.41
CASP7 P55210 1/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL20668109 0.82 KDM4E (0.51) TP53HPGDNPSR1ALDH1A1KDM4E
SCHEMBL18703107 0.79 ALDH1A1 (0.44) TP53HPGDNPSR1ALDH1A1KDM4E
SCHEMBL29503001 0.74 CA12 (0.43) TP53HPGDNPSR1ALDH1A1KDM4E
SCHEMBL18702637 0.74 CA12 (0.43) TP53HPGDNPSR1ALDH1A1KDM4E
SCHEMBL13891958 0.73 ALDH1A1 (0.43) TP53HPGDALDH1A1KDM4ETSHR
SCHEMBL15503756 0.70 TP53 (0.75) TP53MEN1KMT2AMAPTLMNA
SCHEMBL13475475 0.68 GAA (0.56) HPGDNPSR1ALDH1A1KDM4ETSHR
SCHEMBL10114020 0.68 HPGD (0.46) TP53HPGDNPSR1ALDH1A1KDM4E
SCHEMBL718444 0.67 ABCB1 (0.44) TP53HPGDALDH1A1KDM4ETSHR
SCHEMBL27637915 0.66 CA12 (0.57) HPGDALDH1A1KDM4EMEN1KMT2A

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-2892525-B1 METHODS OF TREATING MUSCULAR DYSTROPHY UNIV NEVADA RENO (US) 2018-06-13 EP disclosed