SCHEMBL6013487

SCHEMBL6013487

COc1ccc2[nH]c(C)c(CC(=O)O)c2c1Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.46
PTGDR Q13258 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PTPN5 P54829 1/20 0.44
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7698626 0.91 GAA (0.49) AKR1C2PTGDRPTGDR2PTPN5MAPT
SCHEMBL7693001 0.90 AKR1C2 (0.49) AKR1C2PTGDRPTGDR2PTPN5MAPT
SCHEMBL7694013 0.89 AKR1C2 (0.46) AKR1C2PTGDRPTGDR2PTPN5MAPT
SCHEMBL7699710 0.89 AKR1C2 (0.46) AKR1C2PTGDRPTGDR2PTPN5MAPT
SCHEMBL7698767 0.87 AKR1C2 (0.46) AKR1C2PTGDRPTGDR2PTPN5MAPT
SCHEMBL8891252 0.87 HTT (0.43) PTGDRPTGDR2PTPN5MAPTGAA
SCHEMBL8672196 0.87 PTGDR (0.39) AKR1C2PTGDRPTGDR2PTPN5MAPT
SCHEMBL7692673 0.87 AKR1C2 (0.45) AKR1C2PTGDRPTGDR2PTPN5MAPT
SCHEMBL5810898 0.87 PTGS1 (0.48) AKR1C2PTGDRPTGDR2PTPN5MAPT
SCHEMBL8671632 0.84 PTGS1 (0.40) PTGDRPTGDR2PTPN5MAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968371-A2 MODULATION OF CELLULAR DNA REPAIR ACTIVITY TO INTERCEPT MALIGNANCY The Board of Trustees of the Leland Stanford Junior University (US) 2016-01-20 EP claimed
WO-2014164730-A2 MODULATION OF CELLULAR DNA REPAIR ACTIVITY TO INTERCEPT MALIGNANCY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-09 WO claimed
EP-1617828-A2 NANO-SIZED VEHICLES TRANSPORTING A THERAPEUTIC AGENT AND AT LEAST ONE DRUG RESISTANCE MODULATOR FOR THE TREATMENT OF MULTI DRUG RESISTANCE Celator Pharmaceuticals, Inc. (US) 2006-01-25 EP disclosed
WO-2004087094-A2 NANO-SIZED VEHICLES TRANSPORTING A THERAPEUTIC AGENT AND AT LEAST ONE DRUG RESISTANCE MODULATOR FOR THE TREATMENT OF MULTI DRUG RESISTANCE CELATOR PHARMACEUTICALS, INC. (US) 2004-10-14 WO disclosed
WO-2002020478-A1 N-BENZYLINDOLE-3-ACETIC ACID DERIVATIVES FOR USE IN THE TREATMENT OF DRUG RESISTAN CANCER DUBLIN CITY UNIVERSITY (IE) 2002-03-14 WO disclosed