SCHEMBL28656942

SCHEMBL28656942

[CH2]c1cc(=O)oc2cc(N3CCCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ ERCC1 P07992 1/20 0.43
▸ DNASE1 P24855 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ ERCC4 Q92889 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TERT O14746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ IP6K1 Q92551 2/20 0.38
▸ IP6K3 Q96PC2 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28645900 0.98 ALDH1A1 (0.48) HSD17B10ALDH1A1PRKDCERCC1DNASE1
SCHEMBL28651740 0.97 HSD17B10 (0.43) HSD17B10ALDH1A1PRKDCERCC1DNASE1
SCHEMBL28661113 0.86 PRKDC (0.40) ALDH1A1PRKDCMAPTKMT2AKDM4E
SCHEMBL28637400 0.82 ALDH1A1 (0.57) HSD17B10ALDH1A1PRKDCERCC1DNASE1
SCHEMBL22501691 0.82 KDM4E (0.54) HSD17B10ALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL24589799 0.81 MAOB (0.55) HSD17B10ALDH1A1PRKDCMAPTL3MBTL1
SCHEMBL1937101 0.79 HSD17B10 (0.53) HSD17B10ALDH1A1PRKDCERCC1DNASE1
SCHEMBL32677438 0.79 HSD17B10 (0.53) HSD17B10ALDH1A1PRKDCERCC1DNASE1
SCHEMBL18493216 0.79 ALDH1A1 (0.54) HSD17B10ALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL1937493 0.78 HSD17B10 (0.51) HSD17B10ALDH1A1PRKDCERCC1DNASE1

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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