SCHEMBL20749064

SCHEMBL20749064

COC(=O)[C@@H](O)C(C=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
MEN1 O00255 1/20 0.35
PLA2G1B P04054 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
TSHR P16473 1/20 0.35
ACP3 P15309 1/20 0.34
LTA4H P09960 1/20 0.34
CTSA P10619 1/20 0.34

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
SCHEMBL16795791 0.82 KMT2A (0.44) KMT2AALDH1A1ESR1MEN1PLA2G1B
SCHEMBL29418658 0.82 KMT2A (0.44) KMT2AALDH1A1ESR1MEN1PLA2G1B
SCHEMBL16808430 0.82 KMT2A (0.44) KMT2AALDH1A1ESR1MEN1PLA2G1B
SCHEMBL30443709 0.82 KMT2A (0.44) KMT2AALDH1A1ESR1MEN1PLA2G1B
SCHEMBL15538385 0.82 KMT2A (0.44) KMT2AALDH1A1ESR1MEN1PLA2G1B
SCHEMBL15539620 0.82 KMT2A (0.44) KMT2AALDH1A1ESR1MEN1PLA2G1B
SCHEMBL8464873 0.79 KMT2A (0.46) KMT2AALDH1A1ESR1MEN1PLA2G1B
SCHEMBL28405616 0.76 ESR1 (0.41) KMT2AALDH1A1ESR1MEN1NPSR1
SCHEMBL9666407 0.76 KMT2A (0.46) KMT2AALDH1A1ESR1MEN1PLA2G1B
SCHEMBL9666399 0.76 KMT2A (0.46) KMT2AALDH1A1ESR1MEN1PLA2G1B

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
EP-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed