SCHEMBL7301528

SCHEMBL7301528

COc1ccc(C[C@H](NC(=O)NCCCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.87
FPR2 P25090 1/20 0.65
LMNA P02545 1/20 0.60
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
ALOX15 P16050 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 2/20 0.54

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
SCHEMBL7292760 0.92 KMT2A (0.73) KMT2AFPR2SIGMAR1POLBTSHR
SCHEMBL17117383 0.82 FPR2 (0.71) KMT2AFPR2LMNAALDH1A1GAA
SCHEMBL6244424 0.81 KMT2A (0.58) KMT2AALDH1A1SIGMAR1
SCHEMBL16562082 0.80 EPHX2 (0.76) KMT2AFPR2LMNAALDH1A1EPHX2
SCHEMBL17117215 0.80 EPHX2 (0.76) KMT2AFPR2LMNAALDH1A1EPHX2
SCHEMBL6121330 0.80 LMNA (0.74) KMT2ALMNAALDH1A1GAAPOLB
SCHEMBL6374706 0.79 FPR2 (1.00) KMT2AFPR2ALDH1A1ALOX15
SCHEMBL6379203 0.79 FPR2 (1.00) KMT2AFPR2ALDH1A1ALOX15
SCHEMBL6374699 0.79 FPR2 (1.00) KMT2AFPR2ALDH1A1ALOX15
SCHEMBL5189503 0.79 FPR2 (0.68) KMT2AFPR2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed