SCHEMBL8475923

SCHEMBL8475923

CCC(Br)C(=O)N(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
DPP4 P27487 1/20 0.33
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL9382080 0.81 LMNA (0.34) LMNAMMP1MMP2MMP3MMP8
SCHEMBL14361944 0.79 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL11404507 0.78 DPP4 (0.33) LMNAMMP1MMP2MMP3MMP8
SCHEMBL9384434 0.78 LMNA (0.32) LMNAMMP1MMP2MMP3MMP8
SCHEMBL23670668 0.77
SCHEMBL19285582 0.77
SCHEMBL3337623 0.77 LMNA (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL6584107 0.77
SCHEMBL9034127 0.74 LCK (0.60) LCKPPARDZDHHC20ZDHHC2
SCHEMBL3898588 0.74 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116840958-A Solvent polymer holographic grating and preparation method thereof 江西联昊光电有限公司 2023-10-03 CN disclosed
US-5990341-A Diastereoselective synthesis hydroxyethylene dipeptide isosteres EMORY UNIVERSITY (US) 1999-11-23 US disclosed
US-5587514-A Diastereoselective synthesis of hydroxyethylene dipeptide isosteres EMORY UNIVERSITY (US) 1996-12-24 US disclosed
WO-1995014655-A1 DIASTEREOSELECTIVE SYNTHESIS OF HYDROXYETHYLENE DIPEPTIDE ISOSTERES EMORY UNIVERSITY (US) 1995-06-01 WO disclosed
US-4644012-A WITH 3-PHENYL-4H-1-BENZOPYRAN-4-ONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-17 US disclosed
EP-0146921-A2 Method for treating osteoporosis Takeda Chemical Industries, Ltd. (JP) 1985-07-03 EP disclosed