SCHEMBL20150139

SCHEMBL20150139

Cc1cc(C)c(C(C)C)cc1I

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRB2 P47870 1/20 0.39
LMNA P02545 4/20 0.38
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL24034824 0.85 GABRA1 (0.39) GABRA1GABRB1GABRB2LMNATRPA1
SCHEMBL20133732 0.83
SCHEMBL467310 0.79 LMNA (0.59) GABRA1GABRB1GABRB2LMNATRPA1
SCHEMBL29538596 0.79 LMNA (0.59) GABRA1GABRB1GABRB2LMNATRPA1
SCHEMBL4972071 0.78 LMNA (0.39) GABRA1GABRB1GABRB2LMNATRPA1
SCHEMBL8674907 0.78 LMNA (0.42) GABRA1GABRB1GABRB2LMNATRPA1
SCHEMBL4253532 0.75 GABRA1 (0.48) GABRA1GABRB1GABRB2LMNATRPA1
SCHEMBL5508810 0.74 LMNA (0.58) GABRA1GABRB1GABRB2LMNATRPA1
SCHEMBL1369255 0.74 TTR (0.35)
SCHEMBL9064530 0.73 LMNA (0.39) GABRA1GABRB1GABRB2LMNATRPA1

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed