SCHEMBL5025014

SCHEMBL5025014

NC(Cc1ccc(N(CCO)CCO)cc1O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.53
▸ ALOX15 P16050 5/20 0.53
▸ HIF1A Q16665 5/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ LMNA P02545 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ PMP22 Q01453 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ USP2 O75604 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ NFKB1 P19838 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ BLM P54132 3/20 0.53
▸ THPO P40225 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ THRB P10828 2/20 0.53

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
SCHEMBL1070028 0.78 HIF1A (0.75) CYP3A4ALOX15HIF1AKDM4ELMNA
SCHEMBL5025012 0.78 HIF1A (0.75) CYP3A4ALOX15HIF1AKDM4ELMNA
SCHEMBL1598641 0.76 MAPT (0.41) CYP3A4KDM4ELMNAALDH1A1MAPT
SCHEMBL4140820 0.76 KDM4E (0.66) CYP3A4ALOX15HIF1AKDM4ELMNA
SCHEMBL2679928 0.76 KDM4E (0.66) CYP3A4ALOX15HIF1AKDM4ELMNA
SCHEMBL5024795 0.75 KDM4E (0.53) CYP3A4ALOX15HIF1AKDM4ELMNA
SCHEMBL1599791 0.74 TYR (0.41) CYP3A4ALOX15KDM4ELMNAALDH1A1
SCHEMBL2028640 0.73 KDM4E (0.62) CYP3A4ALOX15HIF1AKDM4ELMNA
SCHEMBL2028058 0.73 KDM4E (0.62) CYP3A4ALOX15HIF1AKDM4ELMNA
SCHEMBL2028643 0.73 KDM4E (0.62) CYP3A4ALOX15HIF1AKDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 — — WO disclosed
WO-2011057220-A2 COMPOSITIONS AND METHODS FOR TREATING LYMPHOMA NORTHWESTERN UNIVERSITY (US) 2011-05-12 — — WO disclosed
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