SCHEMBL28061534

SCHEMBL28061534

[CH2]Cc1cc(C)c(Sc2ccc(OC)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
AR P10275 2/20 0.38
APP P05067 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18723690 0.78 TDP1 (0.47) PTGIRPTGS1PTGS2AKR1B1PTGDR2
SCHEMBL28061531 0.78 PTGS1 (0.38) PTGIRPTGS1PTGS2AKR1B1PTGDR2
SCHEMBL28061510 0.78 F2RL1 (0.51) PTGS1PTGS2AKR1B1PTGDR2MEN1
SCHEMBL18723868 0.77 PTGS1 (0.39) PTGIRPTGS1PTGS2AKR1B1PTGDR2
SCHEMBL28061520 0.75 TUBB1 (0.45) PTGIRPTGS1PTGS2AKR1B1PTGDR2
SCHEMBL28091688 0.75 NPBWR1 (0.42) ARMEN1KMT2AFFAR4ALDH1A1
SCHEMBL18723828 0.73 PTGS1 (0.41) PTGIRPTGS1PTGS2AKR1B1PTGDR2
SCHEMBL28061523 0.73 ALDH1A1 (0.46) PTGIRPTGS1PTGS2AKR1B1PTGDR2
SCHEMBL130044 0.70 IDO1 (0.58) MAOBALDH1A1TP53CYP3A4ALOX15
SCHEMBL27916620 0.70 PTGS1 (0.39) PTGIRPTGS1PTGS2AKR1B1PTGDR2

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-105906617-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2018-09-04 CN disclosed
CN-105906617-A Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2016-08-31 CN disclosed
CN-103038231-B Modulators of HEC1 activity and methods thereof Taivex Therapeutics Corp. (CN) 2016-04-20 CN disclosed