SCHEMBL5024792

SCHEMBL5024792

NC(Cc1ccc(NCCCl)cc1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.51
▸ ALOX15 P16050 5/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ HIF1A Q16665 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ PMP22 Q01453 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ USP2 O75604 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ NFKB1 P19838 3/20 0.51
▸ BLM P54132 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ RECQL P46063 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ THPO P40225 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51

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
SCHEMBL5024795 0.88 KDM4E (0.53) CYP3A4ALOX15KDM4EHIF1AALDH1A1
SCHEMBL2729059 0.79 HIF1A (0.56) CYP3A4ALOX15KDM4EHIF1AALDH1A1
SCHEMBL2729020 0.79 HIF1A (0.56) CYP3A4ALOX15KDM4EHIF1AALDH1A1
SCHEMBL1897294 0.79 HIF1A (0.56) CYP3A4ALOX15KDM4EHIF1AALDH1A1
SCHEMBL5024800 0.78 USP2 (0.54) CYP3A4ALOX15KDM4EHIF1AALDH1A1
Hydrochloric Acid SCHEMBL28269560 0.77 HIF1A (0.55) CYP3A4ALOX15KDM4EHIF1AALDH1A1
Hydrochloric Acid SCHEMBL28267946 0.77 HIF1A (0.55) CYP3A4ALOX15KDM4EHIF1AALDH1A1
Hydrochloric Acid SCHEMBL28267943 0.77 HIF1A (0.55) CYP3A4ALOX15KDM4EHIF1AALDH1A1
Hydrochloric Acid SCHEMBL28269559 0.77 HIF1A (0.55) CYP3A4ALOX15KDM4EHIF1AALDH1A1
SCHEMBL2729253 0.77 NOS3 (0.57) CYP3A4ALOX15KDM4EHIF1AALDH1A1

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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