SCHEMBL3714765

SCHEMBL3714765

CC(C)(C)c1ccc(C=O)c(O[SiH](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
NPSR1 Q6W5P4 5/20 0.34

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
SCHEMBL8456919 0.88 MAPT (0.30) ALDH1A1RAB9AL3MBTL1NPC1PLA2G1B
SCHEMBL5204561 0.80 CA1 (0.39) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL7313369 0.80
SCHEMBL8877133 0.78 ENPP2 (0.35) LMNAKMT2AGAACA1CA2
SCHEMBL24398644 0.75 ALDH1A1 (0.59) LMNACA1CA2CA9ALDH1A1
SCHEMBL31134158 0.75 ALDH1A1 (0.59) LMNACA1CA2CA9ALDH1A1
SCHEMBL8684021 0.74 MRGPRX4 (0.48) KMT2ARAB9AL3MBTL1NPC1MAPT
SCHEMBL4868031 0.73 CA1 (0.41) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL5706328 0.70 CA1 (0.53) KMT2AGAACA1CA2CA9
SCHEMBL4380943 0.70 CYP2C19 (0.61) KMT2AALDH1A1RAB9AL3MBTL1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153217-A Efficient preparation method of colorimetric probe JINJIANG SHANGJING FUBEN ENVRIONMENTAL PROT TECHNOLOGY CO LTD 2015-12-16 CN disclosed
WO-2010097350-A1 A PROCESS FOR THE PREPARATION OF AN ALDEHYDE BETA-LACTAM COMPOUND ADAMED SP. Z O.O. (PL) 2010-09-02 WO disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed