SCHEMBL29787987

SCHEMBL29787987

COc1ccccc1-c1cnc(C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.49
▸ P4HTM Q9NXG6 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ METAP2 P50579 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ OXTR P30559 3/20 0.44
▸ AVPR1A P37288 2/20 0.44
▸ ASPH Q12797 1/20 0.44
▸ KDM8 Q8N371 1/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL2040123 1.00 ATR (0.49) ATRP4HTMKDM4EALDH1A1HPGD
SCHEMBL27755250 0.80 EGLN1 (0.59) P4HTMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22445719 0.79 LDHA (0.57) ATRP4HTMKDM4EALDH1A1HPGD
SCHEMBL5934219 0.76 ALPL (0.49) ATRP4HTMKDM4EALDH1A1HPGD
SCHEMBL29685241 0.76 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11908982 0.74 ATR (0.74) ATR
SCHEMBL2644580 0.74 ALOX5AP (0.68) HSD17B10METAP2ALOX5APFEN1
SCHEMBL4214978 0.74 ALOX15 (0.51) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL22717860 0.73 KDM4E (0.54) P4HTMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2929188 0.73 LDHA (0.56) P4HTMKDM4EALDH1A1HPGDHSD17B10

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
CN-114773249-B Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2024-08-16 — — CN disclosed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 — — CN disclosed
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