SCHEMBL22200049

SCHEMBL22200049

C/C=C\C(=O)NCCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.58
PRMT1 Q99873 1/20 0.57
POLB P06746 1/20 0.51
EPHX2 P34913 10/20 0.49
PLA2G2A P14555 1/20 0.49
MAPK1 P28482 1/20 0.47
PLA2G4A P47712 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL9829255 1.00 ADRA1A (0.58) ADRA1APRMT1POLBEPHX2PLA2G2A
SCHEMBL28416594 1.00 ADRA1A (0.58) ADRA1APRMT1POLBEPHX2PLA2G2A
SCHEMBL9829252 1.00 ADRA1A (0.58) ADRA1APRMT1POLBEPHX2PLA2G2A
SCHEMBL20657255 0.98 ADRA1A (0.55) ADRA1APRMT1POLBEPHX2PLA2G2A
SCHEMBL20657261 0.92 KMT2A (0.49) ADRA1APRMT1POLBEPHX2PLA2G4A
SCHEMBL28459307 0.92 KMT2A (0.49) ADRA1APRMT1POLBEPHX2PLA2G4A
SCHEMBL22187118 0.88 APEX1 (0.51) MAPK1APEX1
SCHEMBL20657235 0.84 ECE1 (0.42) ADRA1APRMT1POLBPLA2G2AAPEX1
SCHEMBL25146397 0.84 ADRA1A (0.61) ADRA1APRMT1POLBEPHX2PLA2G2A
SCHEMBL16579816 0.84 ADRA1A (0.61) ADRA1APRMT1POLBEPHX2PLA2G2A

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-3677589-A1 IMPROVED METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-08 EP disclosed