SCHEMBL28265156

SCHEMBL28265156

Cc1oc(-c2ccccc2)c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HTT P42858 4/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
APAF1 O14727 1/20 0.51
KDM4E B2RXH2 7/20 0.49
HPGD P15428 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PTPN1 P18031 1/20 0.45
HSD17B10 Q99714 2/20 0.43
RECQL P46063 2/20 0.43
MAPK1 P28482 1/20 0.43
NR4A2 P43354 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL28264024 0.87 TAAR1 (0.45) MAPTALDH1A1HTTKMT2ARAB9A
SCHEMBL28265155 0.85 PTGS1 (0.48) MAPTALDH1A1HTTKMT2ARAB9A
SCHEMBL12790851 0.80 HTT (0.54) MAPTALDH1A1HTTKMT2ARAB9A
SCHEMBL2808423 0.78 NR4A2 (0.55) MAPTALDH1A1HTTKMT2ARAB9A
SCHEMBL5539118 0.77 BRD4 (0.45) MAPTALDH1A1HTTKMT2AKDM4E
SCHEMBL3668412 0.76 ALDH1A1 (0.55) MAPTALDH1A1HTTKMT2ARAB9A
SCHEMBL3907147 0.75 ALDH1A1 (0.51) MAPTALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL28672271 0.72 KDM4E (0.50) MAPTALDH1A1HTTKMT2ARAB9A
Methylmalonic Acid SCHEMBL27562489 0.71 ALDH1A1 (0.51) MAPTALDH1A1HTTKMT2ARAB9A
SCHEMBL21808985 0.71 HTT (0.68) MAPTALDH1A1HTTKMT2ARAB9A

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-108976186-A A method of the four substituted furan class compound of preparation based on carbon-hydrogen link activation 中国科学院大连化学物理研究所 2018-12-11 CN disclosed