SCHEMBL8931433

SCHEMBL8931433

O=C(O)C(Cl)(Cl)OCC(O)CO

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
OR51E2 Q9H255 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL2514490 0.91 ALDH1A1 (0.35) ALDH1A1TP53TSHR
SCHEMBL2516026 0.78 PRKCA (0.31)
SCHEMBL6753286 0.77 LMNA (0.36) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL11005864 0.77 LMNA (0.36) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2155545 0.77 LMNA (0.40) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL29285409 0.76 LMNA (0.35) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL21043768 0.74 LMNA (0.34) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2515971 0.74 ALDH1A1 (0.32) ALDH1A1TP53TSHR
SCHEMBL24082887 0.74
SCHEMBL27497292 0.73 LMNA (0.36) LMNAKDM4EDUSP3MEN1KMT2A

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-5600088-A POLYMERIC COATING OF PRIMARY OR SECONDARY AMINE AND 3-NITRAZAPENTANE DIISOCYANATE FOR PROPELLANT PARTICLES, TO IMPROVE BONDING STRENGTH WITH BINDERS AEROJET GENERAL CORPORATION (US) 1997-02-04 US disclosed