SCHEMBL6688934

SCHEMBL6688934

CCCCC1(OC)CCN(c2ccc(-c3ncc(-c4ccc(C(=O)O)cc4)s3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.43
RARG P13631 3/20 0.43
IKBKB O14920 4/20 0.42
RARA P10276 3/20 0.42
CSNK2A1 P68400 6/20 0.39
CSNK2A2 P19784 5/20 0.39
CHEK1 O14757 3/20 0.37
MLYCD O95822 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6134072 0.90 SIRT2 (0.39) RARBRARGRARA
SCHEMBL6134106 0.88 ACVRL1 (0.34)
SCHEMBL6689980 0.88 CSNK2A2 (0.46) RARBRARGCSNK2A1CSNK2A2CHEK1
SCHEMBL6134935 0.86 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL6134891 0.84 USP2 (0.46) SMN1; SMN2
SCHEMBL6134410 0.79 ALDH1A1 (0.41) CSNK2A1CSNK2A2NPC1RAB9ASMN1; SMN2
SCHEMBL6134391 0.75 CHKA (0.36) RAB9ASMN1; SMN2
SCHEMBL2942401 0.73 USP2 (0.50) CHEK1NPC1RAB9ASMN1; SMN2
SCHEMBL6134369 0.73 HDAC3 (0.46) RAB9ASMN1; SMN2
SCHEMBL7396944 0.73 RARB (0.66) RARB

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