SCHEMBL5539723

SCHEMBL5539723

CCC(O)c1c(C(=O)O)ccc(N(C)C)c1C(O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
KDM5B Q9UGL1 1/20 0.36
LMNA P02545 2/20 0.35
FABP4 P15090 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 2/20 0.33
HCAR3 P49019 1/20 0.33
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4278466 0.86 LMNA (0.45) ALDH1A1MAPTSMN1; SMN2KDM5BLMNA
SCHEMBL2066277 0.77 GABRP (0.40) ALDH1A1GAAMAPTKDM5BLMNA
SCHEMBL5320187 0.76 LMNA (0.39) ALDH1A1MAPTSMN1; SMN2KDM5BLMNA
SCHEMBL3079818 0.72 KDM5B (0.37) ALDH1A1MAPTSMN1; SMN2KDM5BLMNA
SCHEMBL2377415 0.72 ALDH1A1 (0.40) ALDH1A1TSHRKDM5BMEN1KMT2A
SCHEMBL2221402 0.71 ALDH1A1 (0.48) ALDH1A1GAATSHRMAPTSMN1; SMN2
SCHEMBL9903580 0.70 ALDH1A1 (0.43) ALDH1A1GAATSHRMAPTSMN1; SMN2
SCHEMBL2586587 0.69 ALDH1A1 (0.42) ALDH1A1GAATSHRMAPTSMN1; SMN2
SCHEMBL17560208 0.69 MYC (0.41) ALDH1A1MAPTKDM5BLMNAHTT
SCHEMBL290439 0.68 MAPT (0.40) ALDH1A1GAAMAPTSMN1; SMN2KDM5B

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-1776351-A1 UV FILTER MERCK PATENT GmbH (DE) 2007-04-25 EP disclosed
WO-2006018104-A1 UV FILTER MERCK PATENT GMBH (DE) 2006-02-23 WO disclosed