SCHEMBL5049002

SCHEMBL5049002

CCCCCCCCOc1ccc(CC([NH])c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
NR5A1 Q13285 1/20 0.40
PDK2 Q15119 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOB P27338 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
PLA2G4B P0C869 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL5039769 0.81 FFAR1 (0.46) NPC1RAB9ATP53HPGD
SCHEMBL5044011 0.78 NR5A1 (0.42) NR5A1NPC1RAB9AMAOBTP53
SCHEMBL5044758 0.77 MEN1 (0.42) THRATHRB
SCHEMBL5044054 0.76 MLYCD (0.53)
SCHEMBL5048885 0.75 S1PR1 (0.42) NR5A1MAOB
SCHEMBL5039923 0.74 ACACB (0.45) NR5A1NPC1RAB9AMAOB
SCHEMBL6023242 0.73 MAOB (0.46) LTA4HNR5A1PDK2NPC1RAB9A
SCHEMBL1853979 0.72 KDM4E (0.49) LTA4HMAOB
SCHEMBL1852990 0.71 MAOB (0.43) LTA4HNR5A1PDK2NPC1RAB9A
SCHEMBL9173456 0.70 NR5A1 (0.58) LTA4HNR5A1NPC1RAB9ATP53

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed