SCHEMBL10753215

SCHEMBL10753215

CCC(C(=O)O)C(=O)N(Cc1cccnc1)C(C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TBXAS1 P24557 2/20 0.42
▸ RIPK1 Q13546 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL10752178 0.82 LMNA (0.47) ALDH1A1LMNAPKMKMT2ATBXAS1
SCHEMBL10757418 0.79 LMNA (0.39) ALDH1A1LMNAKMT2ACYP3A4KDM4E
SCHEMBL10753221 0.76 ALDH1A1 (0.48) ALDH1A1LMNAPKMKMT2ARIPK1
SCHEMBL10752283 0.75 KMT2A (0.48) ALDH1A1LMNAKMT2AGAAPOLB
SCHEMBL4477889 0.73 TBXAS1 (0.52) ALDH1A1LMNAPKMKMT2ATBXAS1
SCHEMBL23039954 0.73 MEN1 (0.48) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL13733686 0.73 MEN1 (0.48) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL23039956 0.73 MEN1 (0.48) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL23058774 0.73 MEN1 (0.48) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL10756615 0.73 ALDH1A1 (0.41) ALDH1A1LMNAKMT2ARIPK1FNTA

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-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 — — US disclosed
Send feedback