SCHEMBL4557778

SCHEMBL4557778

C=C(C)C(=O)N(CO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
GLA P06280 2/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 2/20 0.43
LTB4R2 Q9NPC1 1/20 0.41
EGFR P00533 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL6883759 0.87 ALDH1A1 (0.47) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL10204584 0.86 MEN1 (0.46) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL286789 0.85 ALDH1A1 (0.63) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL28740912 0.84 ALDH1A1 (0.47) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL20542039 0.84 ESR1 (0.37) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL2593427 0.83 MEN1 (0.44) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL28353012 0.82 TP53 (0.53) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL28078011 0.82 NPC1 (0.56) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL7505138 0.80 ALDH1A1 (0.55) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL491144 0.80 ALDH1A1 (0.44) ALDH1A1TSHRGLAMEN1KMT2A

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-7538153-B2 Compound of a powdery coating agent WACKER CHEMIE AG (DE) 2009-05-26 US claimed