SCHEMBL5312191

SCHEMBL5312191

CCOC(C)(OC)OC(OC(=O)Cc1ccccn1)(OC(C)(OC)OCC)OC(C)(OC)OCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL3908550 0.83 ALDH1A1 (0.49) CYP1A2ALDH1A1TSHRKDM4EMAPT
SCHEMBL5315539 0.80 CYP19A1 (0.44) LMNA
SCHEMBL5317681 0.80 NPC1 (0.41) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL6339719 0.77 ALDH1A1 (0.51) CYP1A2ALDH1A1TSHRKDM4EMAPT
SCHEMBL29676749 0.77 ALDH1A1 (0.51) CYP1A2ALDH1A1TSHRKDM4EMAPT
SCHEMBL5310369 0.72 ALDH1A1 (0.42) CYP1A2ALDH1A1TSHRKDM4EMAPT
SCHEMBL134991 0.72 LMNA (0.56) CYP1A2ALDH1A1TSHRKDM4ERAB9A
SCHEMBL30858931 0.72 LMNA (0.56) CYP1A2ALDH1A1TSHRKDM4ERAB9A
SCHEMBL78000 0.72 SMN1; SMN2 (0.53) CYP1A2ALDH1A1TSHRKDM4ERAB9A
SCHEMBL29390571 0.72 SMN1; SMN2 (0.53) CYP1A2ALDH1A1TSHRKDM4ERAB9A

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-1840158-A1 METHOD FOR VULCANIZATION AND ADHESION OF RUBBER COMPOSITION WITH ARTICLE TO BE ADHERED BEING MADE OF BRASS OR PLATED WITH BRASS, REINFORCING MATERIAL FOR RUBBER ARTICLE, RUBBER-REINFORCING MATERIAL COMPOSITE, AND PNEUMATIC TIRE Bridgestone Corporation (JP) 2007-10-03 EP disclosed