SCHEMBL2172240

SCHEMBL2172240

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
LTA4H P09960 1/20 0.50
TEAD4 Q15561 1/20 0.47
MMP13 P45452 2/20 0.46
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.42
PARP10 Q53GL7 2/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
FNTA P49354 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
SCHEMBL3054675 0.89 EPHX1 (0.60) EPHX1ALOX5ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16750533 0.89 EPHX1 (0.60) EPHX1ALOX5ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2169718 0.86 PARP10 (0.58) EPHX1LTA4HALOX5MAPTKMT2A
SCHEMBL2173030 0.86 PARP10 (0.55) EPHX1ALOX5KMT2APARP10SMN1; SMN2
SCHEMBL2170990 0.84 EPHX1 (0.49) EPHX1ALDH1A1
SCHEMBL2171656 0.84 EPHX1 (0.49) EPHX1ALDH1A1POLBKMT2APARP10
SCHEMBL1824947 0.80 KMT2A (0.51) EPHX1ALDH1A1MAPTKMT2AHTT
SCHEMBL2370549 0.79 EPHX1 (0.55) EPHX1ALOX5MAPTKMT2APARP10
SCHEMBL2055565 0.79 EPHX1 (0.55) EPHX1ALOX5MAPTKMT2APARP10
SCHEMBL2170913 0.77 P2RX4 (0.49) ALOX5KMT2APARP10PARP15PARP14

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