SCHEMBL28866385

SCHEMBL28866385

Cc1ccccc1C(=O)OCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TSHR P16473 6/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 4/20 0.50
TP53 P04637 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.45
GLA P06280 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
SCHEMBL28280237 0.90 TSHR (0.57) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL17797782 0.89 TSHR (0.66) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL28280201 0.88 TSHR (0.58) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL28393082 0.87 ALDH1A1 (0.64) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL1899615 0.86 MEN1 (0.52) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL812415 0.86 ALDH1A1 (0.55) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL4207450 0.85 TSHR (0.57) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL29860709 0.85 TSHR (0.65) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL14984028 0.85 TSHR (0.68) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL4790665 0.84 TSHR (0.56) ALDH1A1TSHRL3MBTL1TDP1MEN1

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-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN claimed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN disclosed
CN-109071560-A Thienopyridine formamide as ubiquitin-specific protease inhibitor 福马治疗股份有限公司 2018-12-21 CN disclosed