SCHEMBL9398657

SCHEMBL9398657

CCCCC[C@H]1CC[C@H](CCCCc2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 4/20 0.47
THRA P10827 3/20 0.45
FAAH O00519 2/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.41
RARB P10826 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL9398669 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MAPTTHRBTHRAFAAH
SCHEMBL9398283 0.94 SMN1; SMN2 (0.53) SMN1; SMN2MAPTTHRBTHRANPC1
SCHEMBL9398281 0.94 SMN1; SMN2 (0.53) SMN1; SMN2MAPTTHRBTHRANPC1
SCHEMBL9398677 0.92 MAPT (0.51) SMN1; SMN2MAPTTHRBTHRANPC1
SCHEMBL9398685 0.92 MAPT (0.51) SMN1; SMN2MAPTTHRBTHRANPC1
SCHEMBL9399164 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTHRBTHRAFAAH
SCHEMBL9399152 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTHRBTHRAFAAH
SCHEMBL9398781 0.90 MAPT (0.49) SMN1; SMN2MAPTTHRBTHRANPC1
SCHEMBL9398774 0.90 MAPT (0.49) SMN1; SMN2MAPTTHRBTHRANPC1
SCHEMBL9588950 0.89 LMNA (0.53) SMN1; SMN2MAPTTHRBTHRANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346647-A Cyclohexane compounds used in liquid crystalline mixtures HOFFMANN-LA ROCHE INC. (US) 1994-09-13 US disclosed