SCHEMBL30786512

SCHEMBL30786512

CCOC(=O)CC(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
P4HTM Q9NXG6 14/20 0.53
P4HA1 P13674 1/20 0.53
MIF P14174 1/20 0.53
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL23149647 1.00 KDM4E (0.56) KDM4EMAPK1L3MBTL1P4HTMP4HA1
SCHEMBL10662120 0.83 HDAC1 (0.51) KDM4EL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL29939457 0.83 HDAC1 (0.51) KDM4EL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL30786505 0.82 ALDH1A1 (0.47) KDM4EMIFMAPTMEN1ALDH1A1
SCHEMBL23149668 0.82 ALDH1A1 (0.47) KDM4EMIFMAPTMEN1ALDH1A1
SCHEMBL2585062 0.81 KDM4E (0.68) KDM4EMAPK1L3MBTL1P4HTMP4HA1
SCHEMBL29939525 0.81 ALDH1A1 (0.46) KDM4EL3MBTL1MIFMAPTMEN1
SCHEMBL3173315 0.81 DGAT1 (0.60) KDM4EL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL3656932 0.81 KMT2A (0.46) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL5752823 0.81 CXCR1 (0.46) KDM4EMAPTMEN1ALDH1A1KMT2A

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-108658991-B Preparation method and application of 3, 5-disubstituted methylpyrazolo [1,5-a ] pyrimidine-7-phenolate analogue and derivative 辽宁利锋科技开发有限公司 2023-12-15 CN disclosed