SCHEMBL6453076

SCHEMBL6453076

C=CCOc1ccc(-c2ccc([C@@H]3CC[C@@H]4CC(CCCCCC)CC[C@@H]4C3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
S1PR3 Q99500 1/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.32
RARB P10826 3/20 0.32
SPHK1 Q9NYA1 2/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
CYP2C9 P11712 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL6455602 1.00 RAB9A (0.39) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6453079 1.00 RAB9A (0.39) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6455603 1.00 RAB9A (0.39) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6457960 0.99 RAB9A (0.39) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6457963 0.99 RAB9A (0.39) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6456735 0.96 RAB9A (0.40) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6456730 0.96 RAB9A (0.40) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6452708 0.92 RAB9A (0.38) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6452703 0.92 RAB9A (0.38) RAB9ATSHRALDH1A1CNR1CNR2
SCHEMBL6454731 0.92 RAB9A (0.38) RAB9ATSHRALDH1A1CNR1CNR2

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-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed