SCHEMBL9681782

SCHEMBL9681782

CCCCCCCC[C@H]1CC[C@H](c2nnc(-c3ccc(OCCCCC[C@@H](C)CC)cc3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
XIAP P98170 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR1B P28222 1/20 0.34
HTR2B P41595 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ITGAV P06756 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9681788 1.00 RAB9A (0.43) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL8742558 0.91 RAB9A (0.51) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL9154528 0.91 RAB9A (0.51) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL9154524 0.91 RAB9A (0.51) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL8742439 0.87 RAB9A (0.51) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL9670595 0.85 RAB9A (0.45) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL9668828 0.85 RAB9A (0.45) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL7505222 0.80 RAB9A (0.54) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL9349051 0.79 RAB9A (0.53) RAB9AMAPTLMNAXIAPSMN1; SMN2
SCHEMBL9345353 0.79 RAB9A (0.53) RAB9AMAPTLMNAXIAPSMN1; SMN2

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
JP-4159270-A None JP disclosed
JP-H04159270-A CYCLOHEXYLTHIADIAZOLE DERIVATIVE AND LIQUID CRYSTAL ELEMENT USING LIQUID CRYSTAL MATERIAL CONTAINING THE SAME TOSHIBA CORP 1992-06-02 JP disclosed