SCHEMBL6452486

SCHEMBL6452486

CCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(C(F)(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.37
FASN P49327 1/20 0.36
RORC P51449 4/20 0.36
RORA P35398 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
APP P05067 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
LSS P48449 4/20 0.33
RARB P10826 1/20 0.33
PPARD Q03181 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL6456271 1.00 P2RY14 (0.37) P2RY14FASNRORCRORANR1H4
SCHEMBL6456267 1.00 P2RY14 (0.37) P2RY14FASNRORCRORANR1H4
SCHEMBL6452490 1.00 P2RY14 (0.37) P2RY14FASNRORCRORANR1H4
SCHEMBL6459186 0.99 FASN (0.37) P2RY14FASNRORCRORANR1H4
SCHEMBL6459188 0.99 FASN (0.37) P2RY14FASNRORCRORANR1H4
SCHEMBL6455645 0.96 FASN (0.37) P2RY14FASNRORCRORANR1H4
SCHEMBL6455646 0.96 FASN (0.37) P2RY14FASNRORCRORANR1H4
SCHEMBL6460731 0.92 FASN (0.38) P2RY14FASNRORCAPPCYP3A4
SCHEMBL6460728 0.92 FASN (0.38) P2RY14FASNRORCAPPCYP3A4
SCHEMBL9809594 0.91 P2RY14 (0.42) P2RY14FASNRORCRORANR1H4

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