SCHEMBL20646451

SCHEMBL20646451

CCC(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 2/20 0.49
MMP1 P03956 1/20 0.49
CTSB P07858 2/20 0.48
HPGDS O60760 2/20 0.48
QRFPR Q96P65 3/20 0.48
OPRD1 P41143 6/20 0.47
OPRM1 P35372 5/20 0.47
OPRK1 P41145 2/20 0.47
PSMB5 P28074 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL24823292 0.89 ALDH1A1 (0.54) CTSBOPRD1OPRM1OPRK1PSMB5
SCHEMBL9978223 0.89 PSMB5 (0.56) FCER2MMP1HPGDSPSMB5CA12
SCHEMBL24183726 0.89 PSMB5 (0.56) FCER2MMP1HPGDSPSMB5CA12
SCHEMBL29337392 0.87 ACE (0.54) PSMB5
SCHEMBL24183714 0.87 FAAH (0.53) CTSBQRFPROPRD1OPRM1PSMB5
SCHEMBL22749410 0.86 OPRD1 (0.52) FCER2MMP1CTSBHPGDSOPRD1
SCHEMBL22749409 0.86 OPRD1 (0.52) FCER2MMP1CTSBHPGDSOPRD1
SCHEMBL15003956 0.86 QRFPR (0.56) FCER2MMP1HPGDSQRFPR
SCHEMBL17177755 0.86 QRFPR (0.56) FCER2MMP1HPGDSQRFPR
SCHEMBL18515624 0.86 OPRD1 (0.53) CTSBOPRD1OPRM1OPRK1PSMB5

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
EP-3466976-A1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE Daiichi Sankyo Company, Limited (JP) 2019-04-10 EP disclosed
EP-3101032-B1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2019-01-16 EP disclosed