SCHEMBL4537565

SCHEMBL4537565

O=C(NCC1CCCCN1S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
HPGD P15428 1/20 0.47
FKBP1A P62942 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL4541859 0.97 RAB9A (0.54) RAB9AHPGDALDH1A1
SCHEMBL4535933 0.90 PSEN1 (0.56) ALDH1A1NPSR1
SCHEMBL4535257 0.90 RAB9A (0.53) RAB9AALDH1A1
SCHEMBL4536842 0.90 RAB9A (0.50) RAB9ANPC1ALDH1A1
SCHEMBL4539052 0.90 ALDH1A1 (0.47) RAB9AALDH1A1
SCHEMBL4530967 0.89 HTR7 (0.48) RAB9ANPSR1
SCHEMBL8062041 0.88 RAB9A (0.47) RAB9AFKBP1AALDH1A1
SCHEMBL4538141 0.88 BDKRB1 (0.46) RAB9AALDH1A1
SCHEMBL4536848 0.88 HTR1A (0.48) RAB9A
SCHEMBL8069510 0.87 BRD4 (0.53) ALDH1A1

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