SCHEMBL8894557

SCHEMBL8894557

CC1(C)CCc2cc(S)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 2/20 0.45
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PKLR P30613 1/20 0.42
COXFA4 O00483 1/20 0.42
CTSB P07858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRIM24 O15164 1/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
PDE10A Q9Y233 1/20 0.40
MGAM O43451 3/20 0.39
GAA P10253 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39

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
SCHEMBL6849624 0.80 PKM (0.49) MAPTNPC1RAB9APKMKDM1A
SCHEMBL30888534 0.79 MAPT (0.47) MAPTNPC1RAB9APKMKDM1A
SCHEMBL30991570 0.79 AKT1 (0.56) MAPTNPC1RAB9APKMKDM1A
SCHEMBL3701015 0.79 AKT1 (0.56) MAPTNPC1RAB9APKMKDM1A
SCHEMBL3184205 0.79 AKT1 (0.56) MAPTNPC1RAB9APKMKDM1A
SCHEMBL669764 0.79 MAPT (0.47) MAPTNPC1RAB9APKMKDM1A
SCHEMBL6025550 0.79 PKM (0.48) MAPTNPC1RAB9APKMKDM1A
SCHEMBL30513267 0.79 AKT1 (0.56) MAPTNPC1RAB9APKMKDM1A
SCHEMBL7972444 0.77 MAPT (0.45) MAPTNPC1RAB9APKMKDM1A
SCHEMBL5308527 0.77 NPC1 (0.43) MAPTNPC1RAB9APKMKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672710-A SPECIFIC AGONISTS FOR THE RXR RETINOID RECEPTOR RATHER THAN THE RAR ONE; SIDE EFFECT REDUCTION; SKIN AND NERVOUS SYTEM DISORDERS; ANTICARCINOGENIC AGENTS; VISION DEFECTS ALLERGAN (US) 1997-09-30 US disclosed
WO-1997016422-A1 SULFIDES, SULFOXIDES AND SULFONES DISUBSTITUTED WITH A TETRAHYDRONAPHTHALENYL, CHROMANYL, THIOCHROMANYL OR TETRAHYDROQUINOLINYL AND SUBSTITUTED PHENYL OR HETEROARYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-09 WO disclosed