SCHEMBL28826423

SCHEMBL28826423

COc1c2ccccc2c(OC)c2cc(CC(=O)O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.57
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 4/20 0.54
GAA P10253 3/20 0.51
TSHR P16473 3/20 0.51
PTGS1 P23219 2/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
NFKB1 P19838 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
AKR1B1 P15121 2/20 0.51
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARG P37231 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXRA P19793 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
Benzophenone SCHEMBL28129952 0.79 ATM (0.46) ALDH1A1KDM4EHPGDGAAPTGS1
SCHEMBL27654250 0.78 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL29366534 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL30043704 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL52087 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL15082566 0.75 TOP2A (0.52) PTGER4ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL15082562 0.75 SMN1; SMN2 (0.42) PTGER4ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL15082568 0.75 CHRM5 (0.43) PTGER4ALDH1A1KDM4ETSHRTDP1
SCHEMBL15084996 0.75 MGLL (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL601845 0.75 KDM4E (0.54) ALDH1A1KDM4EHPGDTSHRMAPK1

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
CN-105283432-A Composition comprising a compound containing a vinyl group TOKYO OHKA KOGYO CO LTD 2016-01-27 CN disclosed