SCHEMBL5207800

SCHEMBL5207800

COc1cccc(-c2ccc3[nH]cc(CC(=O)Nc4cc(C)ccc4C(=O)O)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 4/20 0.51
HCAR2 Q8TDS4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
FAAH O00519 1/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL5207887 0.90 KDM4E (0.60) KDM4EMTNR1AMTNR1BMEN1TP53
SCHEMBL5213599 0.85 ICMT (0.61) ICMTKDM4EMEN1USP2LMNA
SCHEMBL5208637 0.84 ICMT (0.49) ICMTMEN1TP53KMT2ACDK2
SCHEMBL5206707 0.84 ICMT (0.53) ICMTMTNR1AMTNR1BLMNACNR2
SCHEMBL5211211 0.81 HTR1D (0.48) ICMTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL5213952 0.81 ICMT (0.47) ICMTKDM4EMEN1USP2LMNA
SCHEMBL5210851 0.81 MAPT (0.60) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5209045 0.80 CDK2 (0.49) ICMTMTNR1AMTNR1BMEN1KMT2A
SCHEMBL5210504 0.80 TSHR (0.56) ICMTKDM4EMTNR1AMTNR1B
SCHEMBL22470068 0.79 KDM4E (0.74) ICMTKDM4EMTNR1AMTNR1BMEN1

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
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 US claimed
EP-1343757-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2007-02-14 EP disclosed