SCHEMBL16467149

SCHEMBL16467149

CCCC(C)CC(C(=O)O)c1cc(Br)c(O)c(S(=O)(=O)Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.35
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL3659627 0.76 FOLH1 (0.38) FOLH1
SCHEMBL1201695 0.75 FOLH1 (0.45) FOLH1PSEN1PSEN2APH1BNCSTN
SCHEMBL28645472 0.74 FOLH1 (0.42) FOLH1PSEN1PSEN2APH1BNCSTN
SCHEMBL3658802 0.69 FOLH1 (0.43) FOLH1PSEN1PSEN2APH1BNCSTN
SCHEMBL15111471 0.68 THRB (0.39)
SCHEMBL1202809 0.66 RAB9A (0.42) FOLH1PSEN1PSEN2APH1BNCSTN
SCHEMBL9071870 0.66 AKR1C3 (0.34)
SCHEMBL16467150 0.64 TSHR (0.36)
SCHEMBL25171764 0.64 TTR (0.62)
SCHEMBL1278397 0.64 LMNA (0.44) 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-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed