SCHEMBL3832033

SCHEMBL3832033

COc1ccc(C(C(C)C)C2CCCCC2)c(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL15614302 0.75 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL7286007 0.70 ERN1 (0.56) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL6987350 0.68 MEN1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL27945949 0.66 ALDH1A1 (0.56) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL17871911 0.66 ALDH1A1 (0.55) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL9558758 0.66 ERN1 (0.50) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL17796053 0.66 MAPT (0.56) ERN1ALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL31733318 0.66 MEN1 (0.39) MEN1KMT2AL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL31733520 0.66 MEN1 (0.39) ERN1ALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL31733582 0.66 MEN1 (0.39) MEN1KMT2AL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118109-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2009-11-18 EP disclosed
EP-2114947-A1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Brystol-Myers Squibb Company (US) 2009-11-11 EP disclosed
EP-2099804-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Brystol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008112473-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
WO-2008097796-A1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-14 WO disclosed
WO-2008089027-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-24 WO disclosed