SCHEMBL11472000

SCHEMBL11472000

CCOC(=O)CC(=O)Cc1cc(Cl)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.40
MAPT P10636 2/20 0.40
ERN1 O75460 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL23552448 0.79 SRC (0.49) MEN1KMT2AHPGDTDP1ALOX15
SCHEMBL3633768 0.77 MEN1 (0.47) MEN1KMT2AHPGDTDP1MAPT
SCHEMBL622329 0.74 MAPT (0.61) MEN1KMT2AHPGDTDP1MAPT
SCHEMBL3607515 0.73 TDP1 (0.57) MEN1KMT2AHPGDTDP1ALOX15
SCHEMBL4325061 0.72 EPHX2 (0.52) MEN1KMT2AHPGDTDP1MAPT
SCHEMBL27762442 0.72 TDP1 (0.48) MEN1KMT2ATDP1MAPTERN1
SCHEMBL16731569 0.72 KMT2A (0.49) MEN1KMT2AHPGDTDP1ALOX15
SCHEMBL10955526 0.72 ALDH1A1 (0.48) HPGDMAPTALDH1A1
SCHEMBL15544882 0.71 ALDH1A1 (0.54) MEN1KMT2AHPGDTDP1MAPT
SCHEMBL838576 0.71 KMT2A (0.48) MEN1KMT2AHPGDTDP1ALOX15

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-4188395-A 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed