SCHEMBL17545166

SCHEMBL17545166

CCOC(=O)/C(C#N)=C\c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.80
ALDH1A1 P00352 5/20 0.77
MAPT P10636 4/20 0.77
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
PKM P14618 1/20 0.68
HTT P42858 1/20 0.68
RECQL P46063 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
PDCD1 Q15116 1/20 0.64
CD274 Q9NZQ7 1/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
PTP4A1 Q93096 1/20 0.64
KDM4E B2RXH2 1/20 0.64
MIF P14174 1/20 0.64
EGFR P00533 1/20 0.62

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
SCHEMBL9218611 1.00 DNM1 (0.80) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9218618 1.00 DNM1 (0.80) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21457713 0.89 DNM1 (0.85) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21457708 0.89 DNM1 (0.85) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22897308 0.87 ALDH1A1 (1.00) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21457277 0.87 ALDH1A1 (0.67) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13005208 0.87 ALDH1A1 (0.70) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16441203 0.87 DNM1 (0.85) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL30883296 0.87 ALDH1A1 (1.00) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21457276 0.87 ALDH1A1 (0.67) DNM1ALDH1A1MAPTMEN1KMT2A

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
US-20220002566-A1 Coating Composition LG CHEM, LTD. (KR) 2022-01-06 US disclosed
WO-2016026978-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DRUG ADDICTION UNIVERSITE NICE SOPHIA ANTIPOLIS (FR) 2016-02-25 WO disclosed