Sugi Predict

Sugi Predict / Compounds / SCHEMBL4537759

SCHEMBL4537759

SCHEMBL4537759

Cc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ EPHX2 P34913 1/20 0.40
▸ PAX8 Q06710 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
SCHEMBL4536862 0.88 ALDH1A1 (0.52) RAB9ANPC1PAX8
SCHEMBL4535257 0.85 RAB9A (0.53) RAB9APAX8
SCHEMBL4536848 0.84 HTR1A (0.48) RAB9AEPHX2
SCHEMBL8058698 0.84 KMT2A (0.44) RAB9ANPC1
SCHEMBL4533522 0.84 KMT2A (0.44) RAB9ANPC1
SCHEMBL4534371 0.83 DRD2 (0.41) PAX8
SCHEMBL4537761 0.83 RAB9A (0.46) RAB9ANPC1EPHX2PAX8
SCHEMBL4541154 0.82 RAB9A (0.56) RAB9APAX8
SCHEMBL4537224 0.82 P2RX7 (0.43) —
SCHEMBL4542355 0.81 F10 (0.42) RAB9ANPC1

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 — — WO disclosed