SCHEMBL8702016

SCHEMBL8702016

CC1(C)COC(c2ccccc2OC(=O)c2cccc(C(=O)O)c2)=N1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.39
SLC6A3 Q01959 1/20 0.38
TOP1 P11387 1/20 0.38
PPARD Q03181 1/20 0.36
PTGES O14684 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
PTGER1 P34995 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8702015 0.95 KMT2A (0.46) KMT2AKDM4ESLC6A3TOP1PTGES
SCHEMBL7830474 0.77 KDM4E (0.42) KDM4EMAPTALDH1A1HTT
SCHEMBL7824728 0.75 NPC1 (0.47) KDM4E
SCHEMBL10786907 0.73 KMT2A (0.56) KMT2ASLC6A3TOP1MAPTGAA
SCHEMBL8873184 0.73 MAPT (0.40) KMT2AKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL18380643 0.70 KDM4E (0.61) KDM4EMAPTALDH1A1HTT
SCHEMBL7827566 0.68 HRH3 (0.46) KDM4EMAPTHTT
SCHEMBL8873929 0.68 EGFR (0.44) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL6587245 0.68 ALDH1A1 (0.49) KMT2AKDM4ESLC6A3MAPTALDH1A1
SCHEMBL11121859 0.68 HSD17B10 (0.58) KMT2AKDM4ESLC6A3MAPTALDH1A1

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
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed