SCHEMBL7834889

SCHEMBL7834889

COC(=O)c1cccc(COC(=O)c2c(C)[nH]c3ccc(O)c(CN(C)C)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 3/20 0.41
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GCGR P47871 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GAA P10253 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL7835009 0.88 TSHR (0.47) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL7830099 0.88 ALDH1A1 (0.47) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL7825727 0.87 TSHR (0.43) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL6317736 0.86 NPSR1 (0.49) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL7823730 0.83 TSHR (0.43) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL7832340 0.82 TSHR (0.48) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL7837012 0.81 TSHR (0.47) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL7835107 0.80 TSHR (0.46) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL7834024 0.80 NPC1 (0.51) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL7832805 0.79 TSHR (0.62) MAPTALDH1A1SMN1; SMN2TSHRNPSR1

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
CN-1344270-A Functionalized heterocycles as chemokine receptor modulators THOUSAND YEARS MEDICAMENTS INC (US) 2002-04-10 CN disclosed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed