SCHEMBL8434211

SCHEMBL8434211

CCOC(CCCC(=O)OC)OCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
EPHX1 P07099 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC1A1 P43005 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 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
SCHEMBL8431695 0.88 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1CA12
SCHEMBL29035615 0.86 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1CA12
SCHEMBL8432269 0.85 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1CA12
SCHEMBL8430447 0.84 CYP1A2 (0.53) TSHRL3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL13869507 0.82 TSHR (0.52) TSHRL3MBTL1LMNAALDH1A1CA12
SCHEMBL1308174 0.81 TSHR (0.61) TSHRL3MBTL1LMNAALDH1A1CA12
SCHEMBL9820171 0.81 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1CA12
SCHEMBL28695746 0.79 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1CA12
SCHEMBL9517412 0.79 AKR1B1 (0.44) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL15915437 0.79 ALOX15 (0.36) LMNAEPHX1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562819-B1 Resist coating composition JSR CORP (JP) 1999-12-01 EP disclosed
EP-0562819-A2 Resist coating composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-09-29 EP disclosed