SCHEMBL10364352

SCHEMBL10364352

BrCc1ccc(COCC2CO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 6/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
GLA P06280 1/20 0.36
MGLL Q99685 2/20 0.36
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL731016 0.90 TSHR (0.48) TSHRLMNATDP1ALDH1A1TP53
SCHEMBL2412299 0.85 IDO1 (0.44) TSHRLMNATDP1ALDH1A1TP53
SCHEMBL2412297 0.85 IDO1 (0.44) TSHRLMNATDP1ALDH1A1TP53
SCHEMBL21863346 0.85 MGLL (0.47) TSHRLMNATDP1ALDH1A1TP53
SCHEMBL12172323 0.85 MGLL (0.47) TSHRLMNATDP1ALDH1A1TP53
SCHEMBL18876519 0.83 TSHR (0.42) TSHRLMNATDP1ALDH1A1TP53
SCHEMBL10362663 0.83 TSHR (0.45) TSHRLMNATDP1ALDH1A1TP53
SCHEMBL7236774 0.81 IDO1 (0.44) TSHRLMNAALDH1A1GLA
SCHEMBL21715829 0.81 SMN1; SMN2 (0.44) TSHRLMNATDP1ALDH1A1TP53
SCHEMBL9234674 0.81 AGXT (0.44) TSHRLMNATDP1ALDH1A1TP53

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-0150842-B1 HALOGEN-SUBSTITUTED GLYCIDYL ETHER COMPOUND AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 EP disclosed