SCHEMBL5599148

SCHEMBL5599148

CC(CC1CO1)C(CC1CO1)(CC1CO1)Nc1ccccc1O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28902030 0.77 ALDH1A1 (0.36) NPC1ALDH1A1HPGDNFKB1RAB9A
SCHEMBL8419296 0.74 TSHR (0.36) ALDH1A1
SCHEMBL6551063 0.72 APOBEC3A (0.30)
SCHEMBL5599157 0.69 MAPT (0.39) NPC1ALDH1A1HPGDNFKB1RAB9A
SCHEMBL12971323 0.66 MAPT (0.44) NPC1ALDH1A1HPGDNFKB1RAB9A
SCHEMBL27436357 0.65 MEN1 (0.41) ALDH1A1HSD17B10
Water SCHEMBL28325022 0.64 MAPT (0.43) NPC1ALDH1A1HPGDNFKB1RAB9A
SCHEMBL7721987 0.63 TSHR (0.47) ALDH1A1HPGD
SCHEMBL28487216 0.63 ALDH1A1 (0.30) ALDH1A1
Catechol SCHEMBL3147498 0.61 ALDH1A1 (0.33) ALDH1A1

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
EP-1385904-B1 LOW-DENSITY SEALING MASS, GROUND MASS AND METHOD FOR PRODUCING THE SAME AND THE USE THEREOF CHEMETALL GMBH (DE) 2007-04-11 EP disclosed