SCHEMBL21973139

SCHEMBL21973139

CCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(N(C)C)cc2Oc2cc(N(C)C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.45
▸ HPGD P15428 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ FTO Q9C0B1 6/20 0.40
▸ GSTP1 P09211 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL18270247 0.91 CYP3A4 (0.48) KCNH2HPGDCYP3A4ALDH1A1TDP1
SCHEMBL25138002 0.89 FTO (0.52) KCNH2HPGDCYP3A4TDP1FTO
SCHEMBL22600489 0.88 KCNH2 (0.47) KCNH2HPGDCYP3A4ALDH1A1TDP1
SCHEMBL15298988 0.84 ALB (0.49) KCNH2HPGDTDP1FTOGSTP1
SCHEMBL27087685 0.84 KCNH2 (0.41) KCNH2HPGDCYP3A4ALDH1A1TDP1
SCHEMBL29923531 0.84 KCNH2 (0.41) KCNH2HPGDCYP3A4ALDH1A1TDP1
SCHEMBL23599906 0.84 FTO (0.51) KCNH2HPGDCYP3A4TDP1FTO
SCHEMBL23977365 0.83 KCNH2 (0.40) KCNH2HPGDCYP3A4ALDH1A1TDP1
SCHEMBL23509569 0.83 KCNH2 (0.48) KCNH2HPGDCYP3A4ALDH1A1TDP1
SCHEMBL16974360 0.82 KCNH2 (0.43) KCNH2HPGDCYP3A4ALDH1A1TDP1

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-2972227-B1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MED SYST INC (US) 2020-05-06 — — EP disclosed
Send feedback