SCHEMBL8804133

SCHEMBL8804133

CCCSc1c(OC(C)=O)cc(C)c2c3ccccc3n(Cc3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
PTGS2 P35354 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MITF O75030 1/20 0.41
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 1/20 0.38
GAA P10253 4/20 0.38
POLB P06746 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL8802237 0.88 MEN1 (0.47) ELANEMEN1KMT2AALDH1A1KDM4E
SCHEMBL9056342 0.85 ELANE (0.42) ELANEMEN1KMT2AALDH1A1KDM4E
SCHEMBL9055675 0.85 PTGS2 (0.45) PTGS2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8802009 0.83 MEN1 (0.46) ELANEMEN1KMT2AALDH1A1KDM4E
SCHEMBL8388247 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9057939 0.82 MEN1 (0.47) ELANEMEN1KMT2AALDH1A1KDM4E
SCHEMBL9057381 0.82 ELANE (0.44) ELANEMEN1KMT2AALDH1A1KDM4E
SCHEMBL8390532 0.82 PTGES2 (0.44) ELANEMEN1KMT2AALDH1A1KDM4E
SCHEMBL8391236 0.81 MAPT (0.44) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9056374 0.81 ELANE (0.47) ELANEMEN1KMT2AALDH1A1KDM4E

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-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed