SCHEMBL17875264

SCHEMBL17875264

CC[C@H]1C(=O)Oc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
USP2 O75604 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRM8 O00222 1/20 0.41
GRM7 Q14831 1/20 0.41
GRM4 Q14833 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP2C9 P11712 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 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
SCHEMBL10837410 1.00 KMT2A (0.45) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL10481361 0.85 KMT2A (0.44) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL10690124 0.85 KMT2A (0.45) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL29121037 0.84 MAOA (0.43) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL21384554 0.84 L3MBTL1 (0.43) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL29737271 0.84 MAOA (0.52) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL1077580 0.84 MAOA (0.52) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL4592036 0.82 KMT2A (0.46) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL480910 0.81 KMT2A (0.47) KMT2AMEN1TSHRSMN1; SMN2NPSR1
SCHEMBL28500983 0.81 MEN1 (0.46) KMT2AMEN1USP2L3MBTL1TSHR

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-3037402-B1 METHOD FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-05-17 EP disclosed
EP-3037402-A1 METHOD FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Evonik Degussa GmbH (DE) 2016-06-29 EP disclosed