SCHEMBL4377597

SCHEMBL4377597

N#CC1(c2ccc(O)cc2)C2C=CC(C2)C1CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1739479 0.90 KDM4E (0.36) KDM4EKMT2AMAPK1HSD11B1ALDH1A1
SCHEMBL1077167 0.88 KDM4E (0.34) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL11611684 0.68 KDM4E (0.44) KDM4EKMT2AMAPK1ALDH1A1MEN1
SCHEMBL4377573 0.61 MAPK1 (0.43) KDM4EKMT2AMAPK1ALDH1A1ESR1
SCHEMBL1079211 0.59 HSD11B1 (0.38) KDM4EKMT2AHSD11B1ALDH1A1MEN1
SCHEMBL11610419 0.58 KDM4E (0.37) KDM4EMAPK1POLBTDP1
SCHEMBL4953534 0.57 HSD11B1 (0.42) KMT2AHSD11B1MEN1
SCHEMBL1078417 0.57 ALDH1A1 (0.44) KDM4EKMT2AHSD11B1ALDH1A1MEN1
SCHEMBL11605001 0.57 KDM4E (0.36) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL8614717 0.56 TDP1 (0.46) KDM4EKMT2AALDH1A1MEN1POLB

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-2060937-A1 RETARDATION FILM, AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME Nippon Oil Corporation (JP) 2009-05-20 EP disclosed