SCHEMBL28045902

SCHEMBL28045902

CCc1ccc(C(O)CC2CO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL799713 0.84 CYP1A2 (0.33) TSHRCYP1A2CYP2D6HIF1A
SCHEMBL2745122 0.84 CYP1A2 (0.33) TSHRCYP1A2CYP2D6HIF1A
SCHEMBL2744914 0.84 CYP1A2 (0.33) TSHRCYP1A2CYP2D6HIF1A
SCHEMBL7694718 0.84 CYP1A2 (0.33) TSHRCYP1A2CYP2D6HIF1A
SCHEMBL6036089 0.83 CYP1A2 (0.31) CYP1A2CYP2D6HIF1AIDO1
SCHEMBL14475696 0.82 ADRB3 (0.34) TSHRCYP1A2CYP2D6HIF1ALMNA
SCHEMBL14789496 0.81 TSHR (0.40) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL12460409 0.79 TSHR (0.39) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL9721750 0.79 KDM4E (0.46) IDO1
SCHEMBL17158431 0.79 AOC3 (0.43) TSHRLMNAIDO1SMN1; SMN2ALDH1A1

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-105283948-A Underfill material and method for manufacturing semiconductor device using same DEXERIALS CORP 2016-01-27 CN disclosed