SCHEMBL28838546

SCHEMBL28838546

C=C(C(=O)O)C(C)(OCc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN1 P18031 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38

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
Potassium Ion SCHEMBL8693913 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ACYP2C19NPC1RAB9A
SCHEMBL8694695 0.76 CYP3A4 (0.42) ALDH1A1KDM4ECYP2C19TSHR
SCHEMBL10334686 0.74 PPARA (0.50) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL5269658 0.74 KMT2A (0.41) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL27547966 0.72 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL30768939 0.72 PKM (0.55) ALDH1A1KDM4EMAOBTSHRNR4A1
SCHEMBL8694822 0.71 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTCYP2C19NPC1
SCHEMBL16672541 0.71 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBPTPN1
SCHEMBL603883 0.71 CYP1A2 (0.45) ALDH1A1CYP2C19PTPN1MAOBHIF1A
SCHEMBL1357621 0.71 TSHR (0.43) ALDH1A1CYP2C19PTPN1HIF1ATSHR

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-106414434-A Isothiazole derivatives as gpr120 agonists for the treatment of type ii diabetes 詹森药业有限公司 2017-02-15 CN disclosed