Sugi Predict

Sugi Predict / Compounds / SCHEMBL4534756

SCHEMBL4534756

SCHEMBL4534756

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CCR3 P51677 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ EPHX1 P07099 5/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EPHX2 P34913 6/20 0.46

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
SCHEMBL8069502 0.97 RAB9A (0.50) RAB9ANPC1CCR3EPHX1MEN1
SCHEMBL4542461 0.97 RAB9A (0.50) RAB9ANPC1CCR3EPHX1MEN1
SCHEMBL4539998 0.90 LMNA (0.55) EPHX1EPHX2
SCHEMBL4542837 0.90 RAB9A (0.53) RAB9AEPHX1EPHX2
SCHEMBL4535376 0.90 BRD4 (0.54) EPHX1EPHX2
SCHEMBL4537185 0.88 RAB9A (0.56) RAB9ANPC1EPHX1EPHX2
SCHEMBL4537316 0.87 LMNA (0.56) RAB9AEPHX1EPHX2
SCHEMBL4542345 0.87 EPHX2 (0.56) RAB9AEPHX1EPHX2
SCHEMBL4537833 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL4536842 0.86 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTTDP1

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