SCHEMBL13619279

SCHEMBL13619279

CCC(C)C(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SLC6A9 P48067 1/20 0.38
KLK7 P49862 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL1293117 0.88 LMNA (0.50) LMNAKMT2AMEN1
SCHEMBL21910602 0.83 TSHR (0.42) KMT2AMEN1MAPTKLK7
SCHEMBL6546873 0.82 SMN1; SMN2 (0.43) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL27504862 0.81 ESR1 (0.50) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL29338452 0.80 ALDH1A1 (0.36) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL17802355 0.79 LMNA (0.46) LMNAALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL17069292 0.79 NPC1 (0.44) LMNAALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL17069287 0.79 NPC1 (0.44) LMNAALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL360080 0.79 LMNA (0.46) LMNAALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL683626 0.79 NPC1 (0.44) LMNAALDH1A1KDM4ECYP3A4CYP2D6

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
WO-2009143049-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed