SCHEMBL7720001

SCHEMBL7720001

CCCCNC(=O)C(O[Si](C)(C)C(C)(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
PAX8 Q06710 1/20 0.48
NAAA Q02083 2/20 0.48
KDM4A O75164 1/20 0.41
CNR1 P21554 2/20 0.40
MEN1 O00255 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 1/20 0.40
REN P00797 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7724600 0.78 CYP2C9 (0.51) LMNAPAX8NAAAKDM4ACNR1
SCHEMBL7724420 0.76 EGFR (0.44) LMNAPAX8NAAAKMT2ATSHR
SCHEMBL7724416 0.76 EGFR (0.44) LMNAPAX8NAAAKMT2ATSHR
SCHEMBL7724590 0.75 NAAA (0.40) LMNAPAX8NAAAMEN1KMT2A
SCHEMBL7724633 0.75 USP2 (0.39) LMNAPAX8
SCHEMBL7720015 0.75 HPGD (0.43) LMNAPAX8NAAACNR1CNR2
SCHEMBL7720013 0.74 LMNA (0.39) LMNAPAX8NAAAMEN1KMT2A
SCHEMBL7725838 0.74 GAA (0.44) LMNAPAX8NAAAMEN1KMT2A
SCHEMBL7719994 0.72 ACHE (0.38) TSHR
SCHEMBL6436285 0.72 CNR1 (0.69) LMNAPAX8NAAACNR1CNR2

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-6403818-B1 ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND EISAI CO., LTD. (JP) 2002-06-11 US disclosed