SCHEMBL3883504

SCHEMBL3883504

CC(Cc1ccc(OCCc2ccccc2F)c(-c2ccc3c(cnn3C)c2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.43
FFAR4 Q5NUL3 2/20 0.41
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 2/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
TRPA1 O75762 1/20 0.38
PPARD Q03181 1/20 0.38
TGFBR1 P36897 1/20 0.38
NR3C1 P04150 1/20 0.38
CACNA1H O95180 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTPN1 P18031 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL3883084 0.88 FFAR4 (0.46) ARFFAR4TRPA1TGFBR1NR3C1
SCHEMBL3881338 0.85 PTPN1 (0.46) FFAR4PPARAPPARGPTGER1PTGER4
SCHEMBL3882496 0.85 PTGER1 (0.43) ARFFAR4PPARAPTGER1PTGER4
SCHEMBL3883507 0.85 CACNA1H (0.41) ARFFAR4TRPA1TGFBR1NR3C1
SCHEMBL3885358 0.83 PTPN1 (0.46) FFAR4PPARAPPARGPTGER1PTGER4
SCHEMBL3882546 0.83 TRPA1 (0.44) PPARAPPARGPTGER1PTGER4PTGER3
SCHEMBL3888486 0.82 LTB4R (0.41) FFAR4PPARAPPARGPTGER1PTGER4
SCHEMBL3883636 0.80 FFAR4 (0.46) ARFFAR4
SCHEMBL3883139 0.78 AR (0.43) ARFFAR4SLC16A3SLC16A1PPARA
SCHEMBL3882273 0.78 SLC16A3 (0.48) ARFFAR4SLC16A3SLC16A1PTGER1

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