SCHEMBL187942

SCHEMBL187942

CC(=O)N/C(=C\c1ccccc1C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
AKR1C3 P42330 1/20 0.38
MAPT P10636 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
EGFR P00533 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 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
SCHEMBL3871770 1.00 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL3871772 1.00 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL6417917 0.85 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL6417925 0.85 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL6417921 0.85 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL2152897 0.82 HSD11B1 (0.46) EPHX1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2152900 0.82 HSD11B1 (0.46) EPHX1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2153035 0.82 MAPT (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL2153032 0.82 MAPT (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL10477451 0.81 EPHX1 (0.39) EPHX1ALDH1A1HPGDMEN1KMT2A

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-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP disclosed