SCHEMBL5508283

SCHEMBL5508283

CCOC(=O)Cc1[nH]c2ccc(Oc3ccc(Cl)cc3)c(-c3ccc(C(C)C)cc3)c2c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
ALOX5 P09917 4/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 3/20 0.39
CSF1R P07333 1/20 0.39
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
HPGD P15428 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
XBP1 P17861 1/20 0.37
MAPT P10636 6/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 2/20 0.36
PRKCZ Q05513 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
SCHEMBL5503574 0.90 MEN1 (0.39) TP53MDM2ALOX5ALDH1A1KMT2A
SCHEMBL5511414 0.88 TP53 (0.41) TP53MDM2ALOX5ALDH1A1LMNA
SCHEMBL5506207 0.88 TP53 (0.41) TP53MDM2ALOX5ALDH1A1LMNA
SCHEMBL5516043 0.84 POLB (0.43) TP53ALDH1A1LMNAKMT2AHPGD
SCHEMBL5503249 0.83 KDM4E (0.37) TP53ALDH1A1KMT2ACSF1RHPGD
SCHEMBL5506461 0.83 ALOX5 (0.40) TP53MDM2ALOX5ALDH1A1LMNA
SCHEMBL5504449 0.83 ALOX5 (0.39) TP53MDM2ALOX5KMT2ACSF1R
SCHEMBL5519196 0.82 CSF1R (0.38) TP53MDM2ALOX5ALDH1A1LMNA
SCHEMBL5517754 0.82 POLB (0.36) TP53ALDH1A1LMNAKMT2AHPGD
SCHEMBL5270824 0.81 PTPN1 (0.37) ALOX5ALDH1A1KMT2APTPN1MAPT

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed