SCHEMBL7784923

SCHEMBL7784923

CC(C)Oc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ACACB O00763 4/20 0.33
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACACA Q13085 1/20 0.31
PPARA Q07869 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CNR2 P34972 1/20 0.30
KRAS P01116 1/20 0.30
SOS1 Q07889 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL7785574 0.89 ALDH1A1 (0.45) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL7785129 0.89 ALDH1A1 (0.45) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL7787615 0.87 MAPKAPK2 (0.33) IDO1TDO2KRASSOS1
SCHEMBL7780766 0.86 IDO1 (0.39) LMNAALDH1A1GAAIDO1TDO2
SCHEMBL7780536 0.86 IDO1 (0.39) LMNAALDH1A1GAAIDO1TDO2
SCHEMBL7780335 0.86 LMNA (0.47) LMNAALDH1A1ACACBMEN1KMT2A
SCHEMBL7785286 0.85 LMNA (0.35) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7785093 0.84 CXCL12 (0.39) LMNAALDH1A1ACACBMAPTSMN1; SMN2
SCHEMBL7785478 0.84 ADRB2 (0.36) ALDH1A1MEN1KMT2ACNR2
SCHEMBL7785223 0.84 ADRB2 (0.36) ALDH1A1MEN1KMT2ACNR2

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed