SCHEMBL10907616

SCHEMBL10907616

COC(=O)C(C(C)C(=O)O)N(C(=O)c1ccccc1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ ESRRB O95718 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36

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
SCHEMBL10906191 0.80 HSD11B1 (0.42) KMT2AMEN1NPSR1KDM4EHDAC1
SCHEMBL11255341 0.73 KMT2A (0.58) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11255339 0.73 KMT2A (0.58) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL12983654 0.68 KMT2A (0.56) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL6499535 0.68 HDAC1 (0.47) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL10907611 0.68 MAOB (0.46) KMT2AMEN1TSHRHDAC1HDAC6
Hydrochloric Acid SCHEMBL6499537 0.67 HDAC1 (0.46) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL9557948 0.66 HSD11B1 (0.49) KMT2AHTTMEN1NPSR1KDM4E
SCHEMBL28718389 0.66 TSHR (0.42) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL10906611 0.66 KMT2A (0.44) KMT2AHTTTSHRKDM4ETDP1

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
Send feedback