SCHEMBL22698698

SCHEMBL22698698

C=C[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
CTSL P07711 3/20 0.50
CTSS P25774 3/20 0.50
CTRB1 P17538 2/20 0.50
ELANE P08246 2/20 0.50
CTSB P07858 2/20 0.50
ATM Q13315 1/20 0.50
MBOAT4 Q96T53 1/20 0.49
OPRK1 P41145 2/20 0.48
CTSK P43235 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PTPN7 P35236 1/20 0.47
OPRM1 P35372 1/20 0.47
HTT P42858 1/20 0.47
DUSP3 P51452 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7363144 0.87 SYK (0.52) SYKCTSLCTSSCTRB1ELANE
SCHEMBL29181922 0.87 SYK (0.52) SYKCTSLCTSSCTRB1ELANE
SCHEMBL5362813 0.86 CTRB1 (0.50) SYKCTSLCTSSCTRB1ATM
SCHEMBL10050950 0.83 OPRK1 (0.48) SYKCTSLCTSSCTRB1ATM
SCHEMBL10050609 0.83 OPRK1 (0.48) SYKCTSLCTSSCTRB1ATM
SCHEMBL22754646 0.82 ATM (0.54) CTSLCTSSCTRB1ELANECTSB
SCHEMBL937972 0.81 ATM (0.57) CTSLCTSSCTRB1ELANECTSB
SCHEMBL937973 0.81 ATM (0.57) CTSLCTSSCTRB1ELANECTSB
SCHEMBL13201865 0.81 SYK (0.56) SYKCTSLCTSSCTRB1ELANE
SCHEMBL29014283 0.80 SYK (0.57) SYKCTSLCTSSCTRB1CTSB

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-3082875-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-11-25 EP disclosed