SCHEMBL8690283

SCHEMBL8690283

CCC(=O)NNC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 7/20 0.36
UBE2N P61088 3/20 0.36
HTT P42858 4/20 0.36
CYP2C19 P33261 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BLM P54132 1/20 0.34
AGTR1 P30556 1/20 0.34
OPRK1 P41145 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
SCHEMBL8693305 0.79 MAPT (0.41) HDAC3HDAC1HDAC2NCOR2KMT2A
SCHEMBL8690278 0.76 HDAC3 (0.38) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL8382040 0.70 EPHX2 (0.38) HDAC3HDAC1HDAC2KMT2AMEN1
SCHEMBL8879400 0.69 LMNA (0.36) ALDH1A1HTTSMN1; SMN2LMNAKDM4E
SCHEMBL8381422 0.69 EPHX2 (0.37) HDAC3HDAC1HDAC2KMT2AMEN1
SCHEMBL7988309 0.68 CA12 (0.44) KMT2AMEN1HTTGAASMN1; SMN2
SCHEMBL7988305 0.68 CA12 (0.44) KMT2AMEN1HTTGAASMN1; SMN2
SCHEMBL7987377 0.67 MAPT (0.42) HDAC3HDAC1HDAC2NCOR2KMT2A
SCHEMBL7987374 0.67 MAPT (0.42) HDAC3HDAC1HDAC2NCOR2KMT2A
SCHEMBL6646490 0.65 LMNA (0.33) KMT2AMEN1CYP2C19SMN1; SMN2MAPT

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-5747522-A ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS HOFFMAN-LA ROCHE INC. (US) 1998-05-05 US disclosed
US-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed