SCHEMBL3887449

SCHEMBL3887449

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3ccc(NC(=O)c4ccco4)cc3c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 5/20 0.41
C5AR1 P21730 1/20 0.41
THRB P10828 1/20 0.41
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CREBBP Q92793 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
SCHEMBL3892374 0.98 MAPT (0.42) MAPTTP53C5AR1THRBMAPK14
SCHEMBL3883241 0.87 MAPT (0.41) MAPTTP53C5AR1THRBMAPK14
SCHEMBL3887894 0.85 KMT2A (0.42) MAPTTP53C5AR1THRBMAPK14
SCHEMBL3894580 0.85 C5AR1 (0.44) C5AR1
SCHEMBL3881960 0.84 MAPT (0.42) MAPTTP53C5AR1THRBMAPK14
SCHEMBL3894647 0.84 C5AR1 (0.48) C5AR1
SCHEMBL3887482 0.83 MAPT (0.43) MAPTTP53C5AR1THRBMAPK14
SCHEMBL3884439 0.83 C5AR1 (0.42) C5AR1
SCHEMBL3882409 0.83 PTGER1 (0.42) C5AR1
SCHEMBL3888318 0.81 PTGER1 (0.39) C5AR1

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