SCHEMBL6965253

SCHEMBL6965253

COc1cc(OC)cc(N2CCN(C(=O)Nc3cc(C(C)O)c(C)cc3OC)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.49
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DGAT1 O75907 1/20 0.42
NPC1 O15118 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL6960712 0.91 RBP4 (0.47) RBP4KMT2AGAAMAPTALDH1A1
SCHEMBL6966493 0.88 RBP4 (0.56) RBP4KMT2AGAAMAPTALDH1A1
SCHEMBL6963684 0.88 MEN1 (0.55) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL6956065 0.83 RBP4 (0.49) RBP4KMT2AGAAMAPTALDH1A1
SCHEMBL6967271 0.83 RBP4 (0.51) RBP4KMT2AGAAMAPTALDH1A1
SCHEMBL6955682 0.82 KMT2A (0.45) RBP4KMT2AGAAMAPTALDH1A1
SCHEMBL6783151 0.80 RBP4 (0.60) RBP4KMT2AGAAMAPTALDH1A1
SCHEMBL6955540 0.78 PHGDH (0.49) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL6966490 0.78 KMT2A (0.48) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL6960605 0.78 RBP4 (0.54) RBP4KMT2AGAAMAPTALDH1A1

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
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