SCHEMBL6962601

SCHEMBL6962601

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.57
LMNA P02545 4/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 2/20 0.56
USP2 O75604 2/20 0.56
POLB P06746 2/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 3/20 0.54
KMT2A Q03164 3/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
MAPT P10636 7/20 0.50
HTR1A P08908 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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 0.89 RBP4 (0.69) RBP4LMNAHSD17B10TP53USP2
SCHEMBL6960722 0.89 RBP4 (0.71) RBP4LMNAHSD17B10TP53USP2
SCHEMBL6961765 0.87 MEN1 (0.58) LMNAPOLBGAAKMT2AMAPT
SCHEMBL6956210 0.86 GAA (0.57) RBP4LMNAHSD17B10TP53USP2
SCHEMBL6966493 0.84 RBP4 (0.56) RBP4LMNAHSD17B10TP53USP2
SCHEMBL9057398 0.83 GAA (0.51) RBP4LMNAHSD17B10TP53USP2
SCHEMBL6960605 0.82 RBP4 (0.54) RBP4LMNAHSD17B10TP53USP2
SCHEMBL6965400 0.81 RBP4 (0.60) RBP4LMNATSHRGAAKMT2A
SCHEMBL25307188 0.81 CA12 (0.62) LMNAHSD17B10TP53USP2POLB
SCHEMBL6966587 0.81 RBP4 (0.52) RBP4LMNAHSD17B10TP53USP2

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