SCHEMBL21067824

SCHEMBL21067824

O=C1CCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.45
ACLY P53396 2/20 0.38
HSP90AA1 P07900 4/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
STAT6 P42226 9/20 0.35
SMAD3 P84022 9/20 0.35
SMAD2 Q15796 9/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NLRP3 Q96P20 1/20 0.35
CBR1 P16152 1/20 0.35
PTGS2 P35354 1/20 0.35
FTO Q9C0B1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL21067825 1.00 HSP90AB1 (0.45) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL21067618 1.00 HSP90AB1 (0.45) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL21067909 0.96 HSP90AB1 (0.44) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL31346628 0.96 HSP90AB1 (0.44) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL21068074 0.95 HSP90AB1 (0.43) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL21068072 0.95 HSP90AB1 (0.43) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL29821925 0.92 HSP90AB1 (0.46) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL20840852 0.84 HSP90AB1 (0.43) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL20840795 0.82 HSP90AB1 (0.43) HSP90AB1ACLYHSP90AA1MAOAMAOB
SCHEMBL19418462 0.81 HSP90AB1 (0.44) HSP90AB1ACLYHSP90AA1STAT6SMAD3

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed