SCHEMBL7449977

SCHEMBL7449977

CC(C)(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
GPR132 Q9UNW8 2/20 0.54
CTSL P07711 2/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
ACE P12821 2/20 0.52
MME P08473 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
CTSS P25774 2/20 0.51
PTPN1 P18031 1/20 0.50
CTSK P43235 1/20 0.49

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
SCHEMBL7440200 0.87 KMT2A (0.52) NR4A2RXRARXRBGAAMEN1
SCHEMBL7440191 0.87 KMT2A (0.52) NR4A2RXRARXRBGAAMEN1
Hydrochloric Acid SCHEMBL7896068 0.86 KMT2A (0.51) NR4A2RXRARXRBGAAMEN1
Hydrochloric Acid SCHEMBL7896063 0.86 KMT2A (0.51) NR4A2RXRARXRBGAAMEN1
SCHEMBL7364281 0.83 REN (0.52) CTSLMEN1ALDH1A1LMNAKMT2A
SCHEMBL5833552 0.82 BCL2 (0.68) CTSLMMP9MMP8ACEMME
SCHEMBL5833558 0.82 BCL2 (0.68) CTSLMMP9MMP8ACEMME
SCHEMBL24206195 0.81 MME (0.48) NR4A2RXRARXRBCTSLRAB9A
SCHEMBL8188148 0.81 MME (0.48) NR4A2RXRARXRBCTSLRAB9A
SCHEMBL1123299 0.81 GPR132 (0.77) GPR132GAARAB9AACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323243-B1 AROMATIC ETHER WITH AMINE OR AMIDE GROUPS WARNER-LAMBERT COMPANY 2001-11-27 US disclosed
US-6180677-B1 ANTIEPILEPSY AGENT WARNER-LAMBERT COMPANY 2001-01-30 US disclosed
WO-2000006535-A1 TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed