SCHEMBL5200490

SCHEMBL5200490

CCCCc1ccc(OC)c(OC(=O)CCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
ALOX5 P09917 3/20 0.55
AKR1C3 P42330 2/20 0.55
KMT2A Q03164 2/20 0.53
APP P05067 1/20 0.52
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
LTA4H P09960 1/20 0.51
HPGD P15428 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL31321719 0.83 AKR1C3 (0.65) PLAAT3PLAAT5PLAAT2PLAAT4ALOX5
SCHEMBL15548241 0.81 ALOX15 (0.68) KMT2APPARGPPARALTA4HTRPV1
SCHEMBL28040073 0.81 KMT2A (0.57) PLAAT3PLAAT5PLAAT2PLAAT4ALOX5
SCHEMBL28283295 0.81 AKR1C3 (0.64) ALOX5AKR1C3KMT2AHPGD
SCHEMBL15559089 0.80 ALOX15 (0.74) KMT2APPARGPPARALTA4HTRPV1
SCHEMBL15557423 0.79 ALOX15 (0.72) PPARGPPARALTA4HTRPV1ALOX15
SCHEMBL15558883 0.79 ALOX15 (0.72) PPARGPPARALTA4HTRPV1ALOX15
SCHEMBL14880259 0.78 KMT2A (0.57) PLAAT3PLAAT5PLAAT2PLAAT4AKR1C3
SCHEMBL490871 0.78 ALOX5 (0.76) PLAAT3PLAAT5PLAAT2PLAAT4ALOX5
Phenyl Propionic Acid SCHEMBL28541899 0.78 KMT2A (0.63) PLAAT3PLAAT5PLAAT2PLAAT4ALOX5

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-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed