SCHEMBL22600489

SCHEMBL22600489

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALB P02768 1/20 0.43
▸ FTO Q9C0B1 6/20 0.43
▸ GSTP1 P09211 1/20 0.43
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ MAPT P10636 2/20 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
SCHEMBL18270247 0.95 CYP3A4 (0.48) KCNH2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL23509569 0.90 KCNH2 (0.48) KCNH2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL24590554 0.90 KCNH2 (0.46) KCNH2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL24943573 0.88 FTO (0.57) KCNH2HPGDTDP1SMN1; SMN2ALB
SCHEMBL21973139 0.88 KCNH2 (0.45) KCNH2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL29923596 0.85 HPGD (0.46) KCNH2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL17056146 0.85 HPGD (0.46) KCNH2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL15298989 0.85 ALB (0.50) KCNH2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL17056160 0.84 KCNH2 (0.43) KCNH2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL20353098 0.83 KCNH2 (0.44) KCNH2CYP3A4ALDH1A1HPGDTDP1

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-2020219753-A1 HEPARANASE COMPOUNDS AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-10-29 — — WO disclosed
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