SCHEMBL7697269

SCHEMBL7697269

C=C(Cc1ccc(OC)cc1)C(=O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
NPC1 O15118 2/20 0.51
CTBP2 P56545 1/20 0.51
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 2/20 0.49
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
ALOX5 P09917 1/20 0.48
GAA P10253 2/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CNR2 P34972 1/20 0.47
LTA4H P09960 1/20 0.46

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
SCHEMBL7693742 0.87 CYP19A1 (0.49) USP2CTBP2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7695930 0.86 EPHX2 (0.47) USP2NPC1CTBP2TDP1L3MBTL1
SCHEMBL7690584 0.83 LTA4H (0.47) CTBP2ATMTDP1L3MBTL1MAPT
SCHEMBL7689979 0.82 HTT (0.61) USP2TP53NPC1CTBP2TDP1
SCHEMBL27953414 0.81 FNTA (0.51) L3MBTL1ALDH1A1GAAKMT2AELANE
SCHEMBL2172179 0.81 L3MBTL1 (0.68) USP2TP53NPC1ATMTDP1
SCHEMBL7060790 0.80 CTBP2 (0.60) USP2TP53NPC1CTBP2ATM
SCHEMBL10696120 0.78 CNR2 (0.57) USP2TP53NPC1ATMTDP1
SCHEMBL7692787 0.78 HTT (0.51) USP2TP53CTBP2ATMTDP1
SCHEMBL5081332 0.77 MAPT (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT

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
US-6342627-B1 ESTER INTERCHANGE WITH ALCOHOL IN THE PRESENCE OF LANTHANOIDE METAL ALKOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-29 US disclosed