SCHEMBL6945246

SCHEMBL6945246

C=CC(=O)OC(N)(CCCCC(C)C)CCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 1/20 0.33
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28034396 0.84 CYP3A4 (0.42) TSHRCYP3A4MEN1ALOX15KMT2A
SCHEMBL7623084 0.80 TSHR (0.48) TSHRCYP3A4ALDH1A1TP53MAPK1
SCHEMBL11851858 0.77 TSHR (0.46) TSHRCYP3A4ALDH1A1TP53MAPK1
SCHEMBL23494155 0.76 TSHR (0.46) TSHRCYP3A4MEN1ALOX15KMT2A
SCHEMBL28851638 0.75 CYP3A4 (0.44) TSHRCYP3A4MEN1ALOX15KMT2A
SCHEMBL6945245 0.74 TSHR (0.49) TSHRCYP3A4MEN1ALOX15KMT2A
SCHEMBL27988075 0.73 TSHR (0.46) TSHRCYP3A4ALDH1A1TP53MAPK1
SCHEMBL8213754 0.71 THRB (0.42) TSHRCYP3A4ALDH1A1TP53MAPK1
SCHEMBL28094628 0.71 ACE2 (0.41) TSHRCYP3A4MEN1ALOX15KMT2A
SCHEMBL1259928 0.70 TSHR (0.67) TSHRCYP3A4ALDH1A1TP53MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972783-B1 Method for producing amphoteric resin having dispersing function TAISEI CHEMICAL IND LTD (JP) 2003-05-28 EP disclosed
EP-0972783-A1 Method for producing amphoteric resin having dispersing function Taisei Chemical Industries Ltd (JP) 2000-01-19 EP disclosed