SCHEMBL5760119

SCHEMBL5760119

Cc1oc(-c2ccco2)nc1COc1ccc(CCCn2ccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ FFAR1 O14842 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ QPCT Q16769 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 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
SCHEMBL5759340 0.83 PPARA (0.52) HMOX1HSD17B10FFAR1PPARGQPCT
SCHEMBL5761373 0.82 HMOX1 (0.49) HMOX1ALDH1A1GAAHSD17B10HPGD
SCHEMBL5760940 0.80 PPARA (0.51) HMOX1HSD17B10FFAR1PPARGQPCT
SCHEMBL5760105 0.80 CYP11B1 (0.46) HMOX1ALDH1A1GAAHSD17B10HPGD
SCHEMBL6960613 0.79 FFAR1 (0.48) ALDH1A1GAAHSD17B10HPGDFFAR1
SCHEMBL5759405 0.78 ATP4A (0.55) HMOX1QPCTKMT2A
SCHEMBL5759407 0.78 ATP4A (0.55) HMOX1QPCTKMT2A
SCHEMBL4034983 0.77 KDR (0.53) ALDH1A1GAAHSD17B10HPGDFFAR1
SCHEMBL4033057 0.77 FFAR1 (0.48) ALDH1A1GAAHSD17B10HPGDFFAR1
SCHEMBL6963929 0.76 PPARG (0.46) ALDH1A1GAAHSD17B10HPGDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 — — EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 — — EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 — — US disclosed
Send feedback