SCHEMBL11142986

SCHEMBL11142986

CC(=O)c1c(O)cn(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5201884 0.80 KDM4E (0.39) MEN1KMT2ATHRBCYP3A4HPGD
SCHEMBL28514025 0.77 KDM4E (0.37) MEN1KMT2ATHRBCYP3A4HPGD
SCHEMBL6968501 0.68 TP53 (0.32) KDM4EPOLB
SCHEMBL5153861 0.67 CA12 (0.39) CYP3A4LMNA
SCHEMBL9959156 0.67 TP53 (0.40) CYP3A4KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL28280222 0.65 POLB (0.38) HPGDKDM4EALDH1A1LMNANPC1
SCHEMBL7928003 0.65 NOTUM (0.40) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
Sulfurous Acid SCHEMBL29016172 0.65 KDM4E (0.41) KDM4E
SCHEMBL15100202 0.64 APP (0.44) MEN1KMT2ACYP3A4HPGDL3MBTL1
SCHEMBL21408312 0.64 POLB (0.35) MEN1KMT2ACYP3A4HPGDKDM4E

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
US-4369277-A Pyrrole-stabilized chlorine-containing thermoplastics CIBA-GEIGY CORPORATION (US) 1983-01-18 US disclosed