SCHEMBL20055591

SCHEMBL20055591

COC(=O)C1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)NCC2C=CC=CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
GNRHR P30968 1/20 0.32
MEN1 O00255 3/20 0.32
ATM Q13315 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR88 Q9GZN0 1/20 0.31

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
SCHEMBL20055688 0.87 KMT2A (0.44) KMT2AMEN1SMN1; SMN2
SCHEMBL3786809 0.73 PKM (0.46) KMT2AMEN1ATMSMN1; SMN2
SCHEMBL3786803 0.73 PKM (0.46) KMT2AMEN1ATMSMN1; SMN2
SCHEMBL20055589 0.72 PSEN1 (0.44) KMT2AGNRHRMEN1ATM
SCHEMBL20055697 0.72 LMNA (0.46) KMT2AMEN1SMN1; SMN2
SCHEMBL3783799 0.70 EPHX1 (0.52) KMT2AMEN1SMN1; SMN2
SCHEMBL3783804 0.70 EPHX1 (0.52) KMT2AMEN1SMN1; SMN2
SCHEMBL12615476 0.68 TDP1 (0.44) KMT2AGNRHRMEN1SMN1; SMN2
SCHEMBL1724542 0.68 TDP1 (0.44) KMT2AGNRHRMEN1SMN1; SMN2
SCHEMBL13356590 0.68 FUCA1 (0.34)

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-2116526-B1 DERIVATES OF SUBSTITUTED TARTARIC AICD AND USAGE FOR PREPARATING BETA SECRETASE INHIBITORS INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2018-04-18 EP disclosed