SCHEMBL29936830

SCHEMBL29936830

COCCC(=O)O[Si](OC(=O)CCOC)(OC(=O)CCOC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
APEX1 P27695 3/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL8718823 0.82 CES2 (0.43) LMNAKDM4EPOLBHPGDMEN1
SCHEMBL205674 0.78 ELANE (0.43) TSHRLMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL1971717 0.77 TSHR (0.37) TSHRPOLBHPGDMEN1KMT2A
SCHEMBL26598042 0.73 KMT2A (0.55) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL9751448 0.71 KMT2A (0.53) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL132933 0.71 CES2 (0.43) TSHRLMNAKDM4EPOLBHPGD
SCHEMBL6545067 0.71 MAPT (0.41) TSHRLMNAKDM4EPOLBMEN1
SCHEMBL14614908 0.70 ALDH1A1 (0.59) TSHRLMNAKDM4EPOLBMEN1
SCHEMBL393946 0.70 CA2 (0.41) TSHRLMNAPOLBHPGDMEN1
SCHEMBL31024001 0.69 LMNA (0.37) TSHRLMNAKDM4EMEN1KMT2A

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-115087711-A Adhesion promoting compositions containing organotitanates/zirconates and methods of use PRC-迪索托国际公司 2022-09-20 CN disclosed