SCHEMBL8941628

SCHEMBL8941628

CCCC[C@H]1CC[C@H](c2[c]ccc(OCC)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MAPK1 P28482 3/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 1/20 0.32
HRH3 Q9Y5N1 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NQO1 P15559 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
SCHEMBL8835486 0.87 NQO1 (0.39) MEN1KMT2AMAPTNPC1HPGD
SCHEMBL11140757 0.75 DRD2 (0.40) GAAMAPK1CYP1A2MEN1KMT2A
SCHEMBL11140762 0.75 DRD2 (0.40) GAAMAPK1CYP1A2MEN1KMT2A
SCHEMBL9626505 0.75 RAB9A (0.46) GAAMAPK1CYP1A2MEN1KMT2A
SCHEMBL9626500 0.75 RAB9A (0.46) GAAMAPK1CYP1A2MEN1KMT2A
SCHEMBL20634847 0.74 CHRNB2 (0.36) GAAMAPK1CYP1A2MEN1KMT2A
SCHEMBL11285546 0.71 RAB9A (0.43) MAPK1MEN1KMT2AMAPTNPC1
SCHEMBL10761122 0.71 RAB9A (0.43) GAAMAPK1CYP1A2MEN1KMT2A
SCHEMBL10761128 0.71 RAB9A (0.43) GAAMAPK1CYP1A2MEN1KMT2A
SCHEMBL11145610 0.71 DRD2 (0.39) GAAMAPK1CYP1A2MEN1KMT2A

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
US-5516454-A Supertwist liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-05-14 US disclosed