SCHEMBL9650824

SCHEMBL9650824

C=C(C)Cc1ccccc1OC(=O)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ATM Q13315 1/20 0.48
ALOX15 P16050 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.45
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL8092427 0.84 HSD17B10 (0.64) HSD17B10HPGDALDH1A1KDM4EATM
SCHEMBL16674880 0.83 HSD17B10 (0.63) HSD17B10HPGDALDH1A1KDM4EATM
SCHEMBL9333909 0.80 HSD17B10 (0.63) HSD17B10HPGDALDH1A1KDM4EATM
SCHEMBL13843720 0.80 ELANE (0.50) HSD17B10HPGDALDH1A1KDM4ELMNA
SCHEMBL27890099 0.79 HSD17B10 (0.61) HSD17B10HPGDALDH1A1KDM4EATM
SCHEMBL2052137 0.78 KDM4E (0.56) HSD17B10HPGDALDH1A1KDM4EATM
SCHEMBL12227225 0.78 ELANE (0.50) HSD17B10ALDH1A1KDM4EALOX15LMNA
SCHEMBL16673813 0.78 HSD17B10 (0.56) HSD17B10HPGDALDH1A1KDM4EATM
SCHEMBL9650827 0.78 HSD17B10 (0.64) HSD17B10HPGDALDH1A1KDM4EALOX15
SCHEMBL7712284 0.77 KDM4E (0.55) HSD17B10HPGDALDH1A1KDM4EATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515401-A1 ENDLESS OBJECTS FROM ACRYLATES DSM N.V. (NL) 1992-12-02 EP disclosed
WO-1991011489-A1 ENDLESS OBJECTS FROM ACRYLATES DSM N.V. (NL) 1991-08-08 WO disclosed