SCHEMBL3885728

SCHEMBL3885728

O=C(O)CCc1cc(-c2ccc3ccccc3c2)c(OCCCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.48
▸ FFAR4 Q5NUL3 4/20 0.43
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HDAC1 Q13547 1/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL3893514 0.91 CCNC (0.46) FFAR1CCNCCDK8CYP19A1CYP11B1
SCHEMBL3885405 0.89 FFAR1 (0.46) FFAR1FFAR4CCNCCDK8PTGES
SCHEMBL3882034 0.87 THRA (0.49) FFAR1FFAR4CCNCCDK8HDAC1
SCHEMBL3994447 0.86 PTGES (0.43) FFAR1FFAR4CCNCCDK8CYP11B1
SCHEMBL3895497 0.86 FFAR4 (0.46) FFAR1FFAR4CCNCCDK8HDAC1
SCHEMBL3885151 0.86 PPARG (0.38) HDAC1CYP19A1CYP11B1CYP11B2
SCHEMBL3682322 0.85 FFAR4 (0.47) FFAR1FFAR4CCNCCDK8CYP1A2
SCHEMBL27627098 0.85 CCNC (0.46) CCNCCDK8CYP19A1CYP11B1CYP11B2
SCHEMBL3885715 0.85 FFAR4 (0.43) FFAR1FFAR4CCNCCDK8HDAC1
SCHEMBL3882770 0.85 FFAR4 (0.40) FFAR1FFAR4CCNCCDK8HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 — — EP claimed
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