SCHEMBL2172243

SCHEMBL2172243

Cc1ccc(Oc2ccc(CCC(N)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.53
EPHX2 P34913 1/20 0.50
PARP10 Q53GL7 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
SRD5A2 P31213 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.46
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
TEAD4 Q15561 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
ALDH1A1 P00352 1/20 0.45
F2RL1 P55085 1/20 0.45

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
SCHEMBL364573 0.89 FFAR1 (0.55) FFAR1L3MBTL1LMNAMAPTTDP1
SCHEMBL2169720 0.86 F2RL1 (0.62) FFAR1PARP10L3MBTL1MAPTKMT2A
SCHEMBL2173032 0.84 FFAR1 (0.74) FFAR1PARP10SRD5A2LTA4HFFAR4
SCHEMBL2171661 0.83 FFAR1 (0.53) FFAR1EPHX2L3MBTL1SRD5A2KMT2A
SCHEMBL2170992 0.83 FFAR1 (0.53) FFAR1EPHX2PARP10SRD5A2LTA4H
SCHEMBL4653480 0.81 FFAR1 (0.60) FFAR1SRD5A2FFAR4ALDH1A1
SCHEMBL1413843 0.80 F2RL1 (0.68) FFAR1L3MBTL1MAPTALDH1A1F2RL1
SCHEMBL31238464 0.80 PARP10 (0.58) FFAR1PARP10LMNAMAPTSRD5A2
SCHEMBL661277 0.80 PLAAT3 (0.51) FFAR1L3MBTL1TDP1
SCHEMBL18462297 0.79 TEAD4 (0.56) FFAR1EPHX2MAPTTDP1KMT2A

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-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed