SCHEMBL28060057

SCHEMBL28060057

CCOc1ccc(C(=O)O)cc1C(C)Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
POLB P06746 2/20 0.52
CASP6 P55212 1/20 0.52
TTR P02766 1/20 0.48
LMNA P02545 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CREBBP Q92793 4/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL5340855 0.80 TSHR (0.68) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL177424 0.80 TSHR (0.83) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL29882038 0.80 TSHR (0.83) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL4506502 0.79 TSHR (0.66) TSHRPOLBCASP6LMNAMRGPRX4
SCHEMBL28846281 0.78 TSHR (0.69) TSHRPOLBCASP6TTRLMNA
SCHEMBL7089045 0.78 TSHR (0.65) TSHRPOLBCASP6TTRLMNA
SCHEMBL23793741 0.78 TSHR (0.64) TSHRPOLBCASP6TTRLMNA
SCHEMBL7009346 0.77 TSHR (0.59) TSHRPOLBCASP6TTRLMNA
SCHEMBL825367 0.77 TSHR (0.68) TSHRPOLBCASP6TTRLMNA
SCHEMBL701512 0.77 TSHR (0.68) TSHRPOLBCASP6LMNAMRGPRX4

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
CN-105579440-A Triazolone compounds and uses thereof INCEPTION 2 INC 2016-05-11 CN disclosed