SCHEMBL7903280

SCHEMBL7903280

CC1(C)COB(c2ccc(-c3nnco3)cc2)O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TLR8 Q9NR97 1/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL3225396 0.81 NOTUM (0.54) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL29591345 0.80 LIPG (0.48) LPLLIPG
SCHEMBL29591332 0.78 LPL (0.39) LPLLIPG
SCHEMBL28521876 0.74 LIPG (0.61) ALDH1A1HPGDNPC1RAB9ALPL
SCHEMBL20114004 0.72 LPL (0.52) LPLLIPG
SCHEMBL17694561 0.71 NOTUM (0.78) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL28543193 0.71 LPL (0.34) LPLLIPG
SCHEMBL28495477 0.71 LPL (0.34) LPLLIPG
SCHEMBL18467899 0.70 LPL (0.44) LPLLIPG
SCHEMBL19905011 0.70 LPL (0.44) LPLLIPG

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
US-6197967-B1 CYCLIZATION OF 4-CARBOXYPHENYLBORONIC ACID WITH HYDRAZIDE DERIVATIVE; HYDROLYSIS; CATALYTIC ESTERIFICATION CLARIANT GMBH (DE) 2001-03-06 US disclosed