SCHEMBL28845860

SCHEMBL28845860

CCCCCCC(C)(Oc1ccc(CC)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
S1PR5 Q9H228 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 2/20 0.47
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
PPARA Q07869 6/20 0.46
PPARG P37231 5/20 0.46
RARB P10826 3/20 0.44

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
SCHEMBL29129794 0.88 PPARG (0.51) TP53TSHRPLA2G4BPSEN1PSEN2
SCHEMBL3966243 0.86 PPARA (0.52) TP53TSHRPLA2G4BPSEN1PSEN2
SCHEMBL4550641 0.81 PPARA (0.54) TP53TSHRPLA2G4BPSEN1PSEN2
SCHEMBL8768098 0.80 S1PR1 (0.52) S1PR4S1PR1S1PR3S1PR5
SCHEMBL28567745 0.80 ESR1 (0.49) TP53TSHRPLA2G4BPSEN1PSEN2
SCHEMBL28489847 0.77 PPARG (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20854002 0.77 ELANE (0.47) S1PR4S1PR1S1PR3S1PR5
SCHEMBL20854031 0.77 ELANE (0.47) S1PR4S1PR1S1PR3S1PR5
SCHEMBL20854152 0.77 ELANE (0.47) S1PR4S1PR1S1PR3S1PR5
SCHEMBL20853987 0.77 ELANE (0.47) S1PR4S1PR1S1PR3S1PR5

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
CN-106702180-A Scandium element extraction method 王艳良 2017-05-24 CN disclosed