SCHEMBL9670595

SCHEMBL9670595

CCCCCCC1CCC(c2nnc(-c3ccc(OCCCCCCC(C)(C)CCCC)cc3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XIAP P98170 1/20 0.38
S1PR1 P21453 6/20 0.37
S1PR4 O95977 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR5 Q9H228 4/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR1B P28222 1/20 0.35
HTR2B P41595 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL9668828 1.00 RAB9A (0.45) RAB9ALMNAMAPTSMN1; SMN2KDM4E
SCHEMBL9154528 0.93 RAB9A (0.51) RAB9ALMNAMAPTSMN1; SMN2KDM4E
SCHEMBL9154524 0.93 RAB9A (0.51) RAB9ALMNAMAPTSMN1; SMN2KDM4E
SCHEMBL8742558 0.93 RAB9A (0.51) RAB9ALMNAMAPTSMN1; SMN2KDM4E
SCHEMBL8742439 0.89 RAB9A (0.51) RAB9ALMNAMAPTSMN1; SMN2KDM4E
SCHEMBL9681788 0.85 RAB9A (0.43) RAB9ALMNAMAPTSMN1; SMN2KDM4E
SCHEMBL9681782 0.85 RAB9A (0.43) RAB9ALMNAMAPTSMN1; SMN2KDM4E
SCHEMBL9670605 0.83 GAA (0.32) MAPT
SCHEMBL9668833 0.82 GAA (0.33) RAB9AMAPTKDM4ES1PR1S1PR4
SCHEMBL7505222 0.81 RAB9A (0.54) RAB9ALMNAMAPTSMN1; SMN2KDM4E

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
EP-0513069-A1 PROCESS FOR PRODUCING GEMINATE DIMETHYLALKYL COMPOUNDS AND THEIR USE IN LIQUID CRYSTALLINE MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-19 EP disclosed
WO-1991011441-A1 PROCESS FOR PRODUCING GEMINATE DIMETHYLALKYL COMPOUNDS AND THEIR USE IN LIQUID CRYSTALLINE MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-08 WO disclosed