SCHEMBL28645900

SCHEMBL28645900

[CH2]c1cc(=O)oc2cc(N3CCCCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.45
▸ ERCC1 P07992 1/20 0.43
▸ DNASE1 P24855 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ ERCC4 Q92889 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ IP6K1 Q92551 2/20 0.39
▸ TERT O14746 2/20 0.39
▸ MAOB P27338 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38

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
SCHEMBL28656942 0.98 HSD17B10 (0.46) ALDH1A1PRKDCHSD17B10ERCC1DNASE1
SCHEMBL28651740 0.95 HSD17B10 (0.43) ALDH1A1PRKDCHSD17B10ERCC1DNASE1
SCHEMBL28661113 0.85 PRKDC (0.40) ALDH1A1PRKDCMAPTKMT2AGAA
SCHEMBL24589799 0.82 MAOB (0.55) ALDH1A1PRKDCHSD17B10MAPTL3MBTL1
SCHEMBL22501691 0.81 KDM4E (0.54) ALDH1A1HSD17B10MAPTL3MBTL1MAOB
SCHEMBL28637400 0.81 ALDH1A1 (0.57) ALDH1A1PRKDCHSD17B10ERCC1DNASE1
SCHEMBL1937493 0.80 HSD17B10 (0.51) ALDH1A1PRKDCHSD17B10ERCC1DNASE1
SCHEMBL28292847 0.79 MCL1 (0.49) ALDH1A1PRKDCHSD17B10MEN1MAPT
SCHEMBL1937101 0.78 HSD17B10 (0.53) ALDH1A1PRKDCHSD17B10ERCC1DNASE1
SCHEMBL32677438 0.78 HSD17B10 (0.53) ALDH1A1PRKDCHSD17B10ERCC1DNASE1

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
CN-109593084-B Prolyl hydroxylase small-molecule photosensitive prodrug and preparation method and application thereof 中国药科大学 2021-09-28 — — CN claimed
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