SCHEMBL23969868

SCHEMBL23969868

CNc1ccc(C2(C)CC3CC(C)CC(C3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
EPHX2 P34913 11/20 0.38
ALDH1A1 P00352 2/20 0.33
GPR55 Q9Y2T6 1/20 0.32
GFER P55789 2/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL23969872 0.81 NPC1 (0.39) LMNAMAPTNPC1EPHX2ALDH1A1
SCHEMBL25720525 0.79 MEN1 (0.39) LMNAMAPTNPC1EPHX2ALDH1A1
SCHEMBL22815627 0.79 MAPT (0.40) LMNAMAPTNPC1EPHX2ALDH1A1
SCHEMBL17347046 0.77 LMNA (0.63) LMNAMAPTNPC1EPHX2ALDH1A1
SCHEMBL26017002 0.75 MEN1 (0.36) LMNANPC1ALDH1A1GFERMEN1
SCHEMBL19647750 0.72 ALDH1A1 (0.47) LMNAMAPTNPC1ALDH1A1GFER
SCHEMBL26739637 0.72 ALDH1A1 (0.40) LMNAMAPTALDH1A1GFERRECQL
SCHEMBL25872113 0.72 PDK2 (0.38) LMNAMAPTNPC1EPHX2
SCHEMBL22453675 0.71 NPC1 (0.32) NPC1
SCHEMBL22453131 0.70 ALDH1A1 (0.40) LMNAMAPTNPC1EPHX2ALDH1A1

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
EP-3353156-B1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2021-11-03 EP disclosed