SCHEMBL6956210

SCHEMBL6956210

COc1cc(C)c(C)cc1NC(=O)N1CCN(c2cccc(OC(C)=O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
KMT2A Q03164 2/20 0.57
RBP4 P02753 2/20 0.54
LMNA P02545 4/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 2/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
HTR1A P08908 2/20 0.52
HTR1D P28221 2/20 0.52
HTR1B P28222 2/20 0.52
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 3/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49

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
SCHEMBL6959670 0.86 RBP4 (0.69) GAAKMT2ARBP4LMNAHSD17B10
SCHEMBL6962601 0.86 RBP4 (0.57) GAAKMT2ARBP4LMNAHSD17B10
SCHEMBL6960722 0.86 RBP4 (0.71) GAAKMT2ARBP4LMNAHSD17B10
SCHEMBL8703992 0.84 KMT2A (0.53) GAAKMT2ARBP4LMNAHSD17B10
SCHEMBL6966493 0.83 RBP4 (0.56) GAAKMT2ARBP4LMNAHSD17B10
SCHEMBL6960101 0.83 MAPT (0.59) GAARBP4LMNAHSD17B10TSHR
SCHEMBL6960605 0.80 RBP4 (0.54) GAAKMT2ARBP4LMNAHSD17B10
SCHEMBL8704635 0.79 KMT2A (0.52) GAAKMT2ARBP4LMNAHSD17B10
SCHEMBL6965639 0.78 RBP4 (0.55) GAAKMT2ARBP4LMNAHSD17B10
SCHEMBL6966587 0.78 RBP4 (0.52) GAAKMT2ARBP4LMNAHSD17B10

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