SCHEMBL6806665

SCHEMBL6806665

CCN(CC)N(Cc1ccccc1)P(O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.45
MGLL Q99685 1/20 0.44
CNR2 P34972 1/20 0.43
AOC3 Q16853 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TSPO P30536 1/20 0.40

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
SCHEMBL11214749 0.78 TSHR (0.58) LMNATSHRALDH1A1MGLLCNR2
Fluoride SCHEMBL8376221 0.74 TSHR (0.54) LMNATSHRALDH1A1MGLLCNR2
SCHEMBL5271843 0.72 TSHR (0.56) LMNATSHRALDH1A1MGLLCNR2
SCHEMBL7882263 0.72 AOC3 (0.55) LMNATSHRALDH1A1CNR2AOC3
SCHEMBL29983056 0.72 LMNA (0.47) LMNATSHRALDH1A1MGLLCNR2
SCHEMBL1280222 0.72 ALDH1A1 (0.48) LMNATSHRALDH1A1MGLLAOC3
SCHEMBL1348975 0.70 TSHR (0.54) LMNATSHRALDH1A1MGLLCNR2
SCHEMBL81248 0.69 HRH3 (0.65) LMNATSHRALDH1A1CNR2AOC3
SCHEMBL375111 0.69 KDM4E (0.68) LMNATSHRALDH1A1CNR2AOC3
Hydrochloric Acid SCHEMBL11353607 0.68 TSHR (0.52) LMNATSHRALDH1A1MGLLCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142854-A1 Compounds and methods for stimulating beta-catenin mediated gene expression and differentiation ADHEREX TECHNOLOGIES, INC. (CA) 2004-07-22 US disclosed
US-6706685-B1 Compounds and methods for stimulating β-catenin mediated gene expression and differentiation ADHEREX TECHNOLOGIES INC. (CA) 2004-03-16 US disclosed
WO-2000059939-A1 COMPOUNDS AND METHODS FOR STIMULATING β-CATENIN MEDIATED GENE EXPRESSION AND DIFFERENTIATION ADHEREX TECHNOLOGIES INC. (CA) 2000-10-12 WO disclosed