SCHEMBL9432002

SCHEMBL9432002

CC(C(O[SiH](c1ccccc1)c1ccccc1)C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
CYP2D6 P10635 3/20 0.33
ELANE P08246 1/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
PTGS2 P35354 1/20 0.32
RECQL P46063 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9802325 0.78 ATM (0.37) TSHRTP53ATML3MBTL1CYP2D6
SCHEMBL4766094 0.78 TRPA1 (0.36) ATML3MBTL1ALDH1A1
SCHEMBL7344623 0.75 ATM (0.37) TSHRATML3MBTL1ELANEKMT2A
SCHEMBL5990675 0.73 MMP1 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL5990687 0.73 MMP1 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL708401 0.73 TRPA1 (0.32) ATML3MBTL1ALDH1A1
SCHEMBL9735835 0.73 ADRB2 (0.32) TSHRTP53
SCHEMBL8808719 0.72 ATM (0.35) TSHRATML3MBTL1KMT2ACYP2C19
SCHEMBL7341479 0.71 TRPA1 (0.36) ATML3MBTL1ALDH1A1
SCHEMBL9569520 0.71 ATM (0.30) ATML3MBTL1

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-5334328-A Chiral azetidinone derivatives, and their use as dopes in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed
EP-0520292-A1 Chiral azetidinone derivatives and their use as dopants in liquid crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-30 EP disclosed