SCHEMBL8555345

SCHEMBL8555345

CC(C)COC(Cc1ccccc1)OC(=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SRR Q9GZT4 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL8555339 0.94 TSHR (0.45) TSHRNPC1RAB9AHPGDKDM4E
SCHEMBL873066 0.81 SIGMAR1 (0.50) TRPA1
SCHEMBL16732228 0.81 LMNA (0.41) TSHRNPC1RAB9AKDM4ELMNA
SCHEMBL8555350 0.79 SLC1A3 (0.41) TSHRCYP1A2ALDH1A1
Bicarbonate SCHEMBL28233769 0.78 NPC1 (0.49) TSHRNPC1RAB9AHPGDKDM4E
Bicarbonate SCHEMBL28036766 0.76 TSHR (0.44) TSHRNPC1RAB9AKDM4ELMNA
SCHEMBL9417238 0.76 SRR (0.59) SRR
SCHEMBL2608871 0.74 SIGMAR1 (0.50) TRPA1
SCHEMBL31553563 0.72 ALDH1A1 (0.53) TSHRNPC1RAB9ALMNACYP1A2
SCHEMBL7701055 0.71 LMNA (0.50) TSHRNPC1RAB9ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559533-B1 Process for preparing beta-lactam derivative and synthetic intermediate thereof TANABE SEIYAKU CO (JP) 1998-07-22 EP disclosed
US-5589592-A Process for preparing β-lactam derivative and synthetic intermediate TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 US disclosed
US-5414081-A Treating a 1-aza-3-thiabicycloalkane with base and phosphine or phosphite desulfurizing agent, and reacting the product with an active esterifying agent TANABE SEIYAKU CO., LTD. (JP) 1995-05-09 US disclosed
EP-0559533-A1 Process for preparing beta-lactam derivative and synthetic intermediate thereof TANABE SEIYAKU CO., LTD. (JP) 1993-09-08 EP disclosed