Sugi Predict

Sugi Predict / Compounds / SCHEMBL6455096

SCHEMBL6455096

SCHEMBL6455096

CCCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(CCC)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.40
▸ ACACB O00763 2/20 0.37
▸ SPHK2 Q9NRA0 7/20 0.36
▸ RAB9A P51151 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 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
SCHEMBL6455100 1.00 SPHK1 (0.40) SPHK1ACACBSPHK2RAB9AMAOA
SCHEMBL6451440 0.96 SPHK1 (0.42) SPHK1ACACBSPHK2
SCHEMBL6451437 0.96 SPHK1 (0.42) SPHK1ACACBSPHK2
SCHEMBL6451985 0.95 SPHK1 (0.44) SPHK1ACACBSPHK2
SCHEMBL6457403 0.95 SPHK1 (0.44) SPHK1ACACBSPHK2
SCHEMBL6451987 0.95 SPHK1 (0.44) SPHK1ACACBSPHK2
SCHEMBL6457409 0.95 SPHK1 (0.44) SPHK1ACACBSPHK2
SCHEMBL6452846 0.93 CYP2C9 (0.39) SPHK1ACACBSPHK2MAOAMAOB
SCHEMBL6452854 0.93 CYP2C9 (0.39) SPHK1ACACBSPHK2MAOAMAOB
SCHEMBL6455249 0.92 SPHK1 (0.36) SPHK1SPHK2RAB9A

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