SCHEMBL8795372

SCHEMBL8795372

CC1(C)C=C(c2ccc(O)nc2)c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
ABL1 P00519 13/20 0.35
PPARG P37231 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PPARA Q07869 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
SCHEMBL8795627 0.87 CHRM5 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8794401 0.85 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8794656 0.85 TRPA1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8795556 0.85 DYRK1A (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8794852 0.81 CYP11B1 (0.43) ABL1
SCHEMBL8795654 0.81 ABL1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9381836 0.78 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8794576 0.76 CBFB (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8795032 0.74 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8795589 0.74 PDE2A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-0797576-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1997-10-01 EP disclosed