SCHEMBL6966103

SCHEMBL6966103

COc1cc(C)c(C)cc1NC(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KMT2A Q03164 6/20 0.55
GAA P10253 7/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
GLA P06280 1/20 0.52
ATM Q13315 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 4/20 0.48
CYP1A2 P05177 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL29739214 0.89 POLB (0.61) POLBKMT2AGAAALDH1A1KDM4E
SCHEMBL6966266 0.88 ALDH1A1 (0.53) POLBKMT2AGAAALDH1A1KDM4E
SCHEMBL6786224 0.87 POLB (0.57) POLBKMT2AGAAALDH1A1KDM4E
SCHEMBL6371091 0.83 POLB (0.67) POLBKMT2AGAAALDH1A1KDM4E
SCHEMBL5342673 0.82 NPC1 (0.65) KMT2AGAAALDH1A1HPGDHTT
SCHEMBL8595732 0.82 GAA (0.60) POLBKMT2AGAAALDH1A1KDM4E
SCHEMBL6954174 0.82 ALDH1A1 (0.45) POLBKMT2AGAAALDH1A1KDM4E
SCHEMBL6960305 0.82 GAA (0.56) POLBKMT2AGAAALDH1A1KDM4E
SCHEMBL11176848 0.81 KMT2A (0.72) POLBKMT2AGAAALDH1A1KDM4E
SCHEMBL29739312 0.81 NPSR1 (0.51) POLBKMT2AGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed