SCHEMBL19101787

SCHEMBL19101787

COc1ccc2c(-c3ccc(C=O)cc3C=O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.45
▸ MAOB P27338 4/20 0.43
▸ KDM4E B2RXH2 7/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 5/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CDC25A P30304 1/20 0.42
▸ CDC25C P30307 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 5/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ TNKS O95271 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ USP2 O75604 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PLEC Q15149 1/20 0.41

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
SCHEMBL18947824 0.89 KDM4E (0.47) APPMAOBKDM4EALDH1A1MAPT
SCHEMBL19274902 0.88 ALDH1A1 (0.51) APPMAOBKDM4EALDH1A1MAPT
SCHEMBL18799655 0.85 USP2 (0.57) KDM4EALDH1A1USP2MEN1KMT2A
SCHEMBL19101825 0.85 ABCB1 (0.48) APPMAOBKDM4EALDH1A1MAPT
SCHEMBL14148863 0.83 USP2 (0.60) APPCDC25ACDC25CHPGDUSP2
SCHEMBL16808265 0.80 ALDH1A1 (0.51) APPMAOBKDM4EALDH1A1MAPT
SCHEMBL14527723 0.77 CYP1A2 (0.48) APPMAOBKDM4EALDH1A1MAPT
SCHEMBL13772009 0.76 ABCB1 (0.52) MAOBKDM4EALDH1A1MAPTNPC1
SCHEMBL12909311 0.76 CYP1A2 (0.43) APPMAOBKDM4EALDH1A1MAPT
SCHEMBL18504843 0.75 MAOB (0.49) APPMAOBKDM4EALDH1A1MAPT

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
US-9701715-B2 Conformationally-constrained kinked endosomal-disrupting peptides THE UNIVERSITY OF KANSAS (US) 2017-07-11 — — US disclosed
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