SCHEMBL4531295

SCHEMBL4531295

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(F)c(O)c1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4542597 0.90 MAPT (0.45) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4536845 0.87 RAB9A (0.52) RAB9ATSHR
SCHEMBL4537065 0.86 TSHR (0.44) RAB9ATP53POLBPSEN1PSEN2
SCHEMBL4542351 0.85 RAB9A (0.49) RAB9ATSHR
SCHEMBL4535937 0.85 PSEN1 (0.58) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4530970 0.84 HTR7 (0.52) RAB9A
SCHEMBL4537004 0.84 RAB9A (0.49) RAB9ATSHR
SCHEMBL4535343 0.84 HTR7 (0.50) RAB9A
SCHEMBL4538143 0.83 RAB9A (0.50) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4531292 0.83 ALDH1A1 (0.43) RAB9ATP53PSEN1PSEN2APH1B

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed