SCHEMBL8894900

SCHEMBL8894900

Cc1cc(C(=O)O)c(C)c2c1SC(C)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
APOBEC3A P31941 1/20 0.45
HTT P42858 1/20 0.45
YWHAG P61981 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
NOTUM Q6P988 2/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL8892726 0.72 ALDH1A1 (0.35) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL8118967 0.69 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8119844 0.68 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL8897799 0.68 ABCC1 (0.36) KDM4EMEN1KMT2ATDP1HPGD
SCHEMBL6721499 0.67 NOTUM (0.33) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL22462326 0.66 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL625521 0.63 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL29769767 0.63 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL6721363 0.62 NOTUM (0.34) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL6721464 0.62 KDM4E (0.35) KDM4EALDH1A1MEN1KMT2ATDP1

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-1997008164-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed