SCHEMBL28292847

SCHEMBL28292847

O=c1cc(CO)c2ccc(N3CCCCC3)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HSD17B3 P37058 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAOB P27338 1/20 0.42

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
SCHEMBL28637400 0.80 ALDH1A1 (0.57) MCL1ALDH1A1PRKDCKMT2AMAPT
SCHEMBL28645900 0.79 ALDH1A1 (0.48) ALDH1A1PRKDCKMT2AMAPTMEN1
SCHEMBL24589799 0.79 MAOB (0.55) MCL1ALDH1A1PRKDCMAPTHSD17B3
SCHEMBL28656942 0.77 HSD17B10 (0.46) ALDH1A1PRKDCKMT2AMAPTMEN1
SCHEMBL22501691 0.77 KDM4E (0.54) MCL1ALDH1A1MAPTHSD17B3CYP3A4
SCHEMBL1937493 0.76 HSD17B10 (0.51) ALDH1A1PRKDCKMT2AMAPTMEN1
SCHEMBL1937101 0.75 HSD17B10 (0.53) ALDH1A1PRKDCKMT2AMAPTMEN1
SCHEMBL32677438 0.75 HSD17B10 (0.53) ALDH1A1PRKDCKMT2AMAPTMEN1
SCHEMBL18493216 0.74 ALDH1A1 (0.54) MCL1ALDH1A1MAPTHSD17B3CYP3A4
SCHEMBL28651740 0.74 HSD17B10 (0.43) ALDH1A1PRKDCKMT2AMAPTMEN1

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-109593084-B Prolyl hydroxylase small-molecule photosensitive prodrug and preparation method and application thereof 中国药科大学 2021-09-28 — — CN disclosed
CN-109593084-A Photosensitive prodrug of prolyl hydroxylase small molecule and the preparation method and application thereof 中国药科大学 2019-04-09 — — CN disclosed
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