SCHEMBL13159486

SCHEMBL13159486

COCCN(CCOC)C(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
AKR1C3 P42330 2/20 0.47
HSD17B10 Q99714 4/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
NAMPT P43490 2/20 0.43
TSHR P16473 3/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MLYCD O95822 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL22077519 0.84 NAMPT (0.56) TP53HSD17B10HDAC1HDAC6KDM4E
SCHEMBL3401575 0.81 AKR1C3 (0.53) TP53AKR1C3ALDH1A1HPGDTSHR
SCHEMBL13159280 0.79 HPGD (0.69) TP53AKR1C3ALDH1A1HPGDTSHR
SCHEMBL11146062 0.78 KDM4E (0.55) TP53HSD17B10KDM4EALDH1A1HPGD
SCHEMBL11974237 0.78 HPGD (0.61) TP53HSD17B10HDAC1HDAC6KDM4E
SCHEMBL27938990 0.76 MLYCD (0.67) HSD17B10HDAC1HDAC6KDM4EALDH1A1
SCHEMBL13159354 0.75 TDP1 (0.42) TP53AKR1C3ALDH1A1GAA
SCHEMBL11188824 0.75 AKR1C3 (0.50) TP53AKR1C3ALDH1A1HPGDTSHR
SCHEMBL3309083 0.74 AKR1C3 (0.53) AKR1C3HSD17B10KDM4EALDH1A1HPGD
SCHEMBL20537075 0.74 LIG1 (0.58) AKR1C3HSD17B10KDM4EALDH1A1HPGD

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-20100222454-A1 DEGRADATION ACCELERATOR FOR POLYMERS AND POLYMER ARTICLE COMPRISING IT CIBA CORPORATION (US) 2010-09-02 US disclosed