SCHEMBL11245815

SCHEMBL11245815

CC(=O)Oc1ccc(CC(C)C)cc1Cc1coc(Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
PPARG P37231 2/20 0.41
BCL2L1 Q07817 2/20 0.41
MCL1 Q07820 2/20 0.41
AKT1 P31749 1/20 0.41
SLC7A5 Q01650 1/20 0.40
CFD P00746 1/20 0.38
IDH1 O75874 1/20 0.38
ALOX5AP P20292 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
BCL2L11 O43521 1/20 0.36
BAK1 Q16611 1/20 0.36
ALOX15 P16050 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL11238516 0.78 FFAR1 (0.45) TP53MDM2PPARGAKT1CFD
SCHEMBL15977315 0.76 IDH1 (0.49) IDH1GABRA1GABRB2MAPK1
SCHEMBL11245819 0.73 TP53 (0.38) TP53MDM2BCL2L1MCL1SLC7A5
SCHEMBL27627503 0.72 AKT1 (0.46) AKT1CFDALOX5APGABRA1GABRB2
SCHEMBL11351998 0.72 PTGS1 (0.51) PPARGIDH1LMNA
SCHEMBL9164207 0.72 AKT1 (0.55) TP53MDM2PPARGBCL2L1MCL1
SCHEMBL4512063 0.71 ALOX5 (0.50) AKT1CFDMAPTMAPK1PTPN1
SCHEMBL9558386 0.71 L3MBTL1 (0.41) TP53MDM2PPARGBCL2L1MCL1
SCHEMBL10680144 0.70 ALOX15 (0.62) CFDGABRA1GABRB2ALOX15LMNA
SCHEMBL27512435 0.69 MTNR1B (0.57) MAPTMAPK1

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-4315017-A Triazole derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
US-4256754-A PHENYL-1,2,4-TRIAZOLE DERIVATIVE, CARBAMATE BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed