SCHEMBL6689980

SCHEMBL6689980

CCCCC1(OC)CCN(c2ccc(-c3nnc(-c4ccc(C(=O)O)cc4)s3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 12/20 0.46
CSNK2A1 P68400 12/20 0.46
NR1H4 Q96RI1 1/20 0.43
RARB P10826 4/20 0.40
CSNK2B P67870 1/20 0.39
USP2 O75604 1/20 0.39
CHEK1 O14757 2/20 0.38
RARG P13631 1/20 0.38

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
SCHEMBL6134410 0.91 ALDH1A1 (0.41) CSNK2A2CSNK2A1USP2
SCHEMBL6134891 0.88 USP2 (0.46) USP2
SCHEMBL6688934 0.88 RARB (0.43) CSNK2A2CSNK2A1RARBCHEK1RARG
SCHEMBL6134391 0.87 CHKA (0.36) USP2
SCHEMBL6134072 0.78 SIRT2 (0.39) RARBRARG
SCHEMBL6374773 0.77 USP2 (0.43) CSNK2A2CSNK2A1NR1H4CSNK2BUSP2
SCHEMBL6135503 0.77 CSNK2A2 (0.52) CSNK2A2CSNK2A1NR1H4RARBCSNK2B
SCHEMBL2942401 0.77 USP2 (0.50) USP2CHEK1
SCHEMBL6134369 0.76 HDAC3 (0.46)
SCHEMBL6134196 0.76 HTT (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004113368-A1 CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC. (JP) 2004-12-29 WO disclosed