SCHEMBL3889954

SCHEMBL3889954

CCn1ncc2cc(-c3cc(CC(C)C(=O)O)cc(N)c3OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
RAD51 Q06609 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
AR P10275 2/20 0.34
HDAC8 Q9BY41 3/20 0.32
PLA2G10 O15496 3/20 0.32
PLA2G2A P14555 3/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G5 P39877 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
PLA2G12B Q9BX93 1/20 0.32
PLA2G12A Q9BZM1 1/20 0.32
PLA2G2F Q9BZM2 1/20 0.32
PLA2G3 Q9NZ20 1/20 0.32
PLA2G2E Q9NZK7 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL923122 0.88 RAD51 (0.38) FFAR4RAD51HDAC3HDAC1HDAC2
SCHEMBL3887968 0.88 FFAR4 (0.34) FFAR4RAD51ARHDAC8MME
SCHEMBL3888551 0.86 FFAR4 (0.39) FFAR4RAD51ARHDAC8PLA2G10
SCHEMBL3883868 0.85 CCNC (0.36) RAD51HDAC3HDAC1HDAC2AR
SCHEMBL3881647 0.84 AKR1C3 (0.39) PLA2G10PLA2G2APLA2G1BPLA2G5PLA2G2C
SCHEMBL3891647 0.84 AR (0.35) ARPLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL3888233 0.82 TRPA1 (0.40) AR
SCHEMBL923426 0.81 RAD51 (0.35) FFAR4RAD51HDAC3HDAC1HDAC2
SCHEMBL925767 0.81 RAD51 (0.35) FFAR4RAD51HDAC3HDAC1HDAC2
SCHEMBL3882470 0.80 PTGS2 (0.41) ARPLA2G10PLA2G2APLA2G1BPLA2G5

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