SCHEMBL9259519

SCHEMBL9259519

O=C(OCc1ccc(OC2C=CCCC2)cc1)c1ccc(OC2C=CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 1/20 0.41
EPHX2 P34913 1/20 0.41
NAAA Q02083 1/20 0.41
PARP10 Q53GL7 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL9259518 0.80 EPHX2 (0.41) KMT2ALMNATDP1FAAHEPHX2
SCHEMBL3130902 0.79 EPHX2 (0.48) LMNATDP1FAAHEPHX2PARP10
SCHEMBL14114077 0.78 DDB1 (0.41) KMT2AMEN1ALDH1A1NPC1TSHR
SCHEMBL8498484 0.78 ALDH1A1 (0.43) FAAHEPHX2NAAAPARP10ALDH1A1
SCHEMBL6539852 0.77 KMT2A (0.59) KMT2AMEN1LMNASLC6A2SLC6A3
SCHEMBL19381880 0.76 KMT2A (0.58) KMT2AMEN1LMNASLC6A2SLC6A3
SCHEMBL14339546 0.74 MAPT (0.49) KMT2AMEN1LMNAPARP10ALDH1A1
SCHEMBL19822418 0.73 LMNA (0.46) KMT2ALMNASLC6A2SLC6A3KDM4E
SCHEMBL9225166 0.72 ALDH1A1 (0.49) LMNATDP1FAAHEPHX2PARP10
SCHEMBL664009 0.70 EPHX2 (0.59) KMT2AMEN1LMNASLC6A2SLC6A3

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
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 WO disclosed