SCHEMBL22240307

SCHEMBL22240307

CCOC(=O)C(Cc1ccc(F)cc1)NC(C)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
PPARG P37231 2/20 0.51
NOS2 P35228 5/20 0.44
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
MME P08473 2/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 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
SCHEMBL20208655 0.89 EPHX2 (0.50) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL22240360 0.82 EPHX2 (0.52) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL20209068 0.81 EPHX2 (0.51) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL27573321 0.80 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL27478679 0.80 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL6371364 0.80 TACR1 (0.53) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL20208583 0.79 EPHX2 (0.49) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL14847452 0.77 PPARG (0.52) EPHX2PPARGMAPTTDP1TSHR
SCHEMBL22240190 0.77 KDM4E (0.52) EPHX2PPARGNOS2NOS3NOS1
SCHEMBL6277159 0.77 EPHX2 (0.53) EPHX2PPARGNOS2NOS3NOS1

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-3280721-B1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2020-07-22 EP disclosed