SCHEMBL22697173

SCHEMBL22697173

CC[C@H]1CC[C@H](C(=O)NCC(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
KMT2A Q03164 3/20 0.40
EPHX1 P07099 1/20 0.39
PSMB5 P28074 2/20 0.39
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAAA Q02083 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL12019238 0.88 KMT2A (0.48) KMT2AEPHX1PSMB5TRPA1SMN1; SMN2
SCHEMBL15580639 0.82 OPRM1 (0.48) OPRM1KMT2AEPHX1TRPA1SMN1; SMN2
SCHEMBL15200265 0.82 OPRM1 (0.48) OPRM1KMT2AEPHX1TRPA1SMN1; SMN2
SCHEMBL687030 0.82 OPRM1 (0.48) OPRM1KMT2AEPHX1TRPA1SMN1; SMN2
SCHEMBL2576766 0.81 KMT2A (0.44) KMT2APSMB5TRPA1SMN1; SMN2HSD17B10
SCHEMBL2576767 0.81 KMT2A (0.44) KMT2APSMB5TRPA1SMN1; SMN2HSD17B10
SCHEMBL12508317 0.81 PSMB5 (0.44) KMT2AEPHX1PSMB5TRPA1SMN1; SMN2
SCHEMBL23221254 0.79 OPRM1 (0.43) OPRM1KMT2AEPHX1TRPA1SMN1; SMN2
SCHEMBL13574437 0.79 KMT2A (0.41) KMT2AEPHX1PSMB5TRPA1SMN1; SMN2
SCHEMBL21728758 0.79 OPRM1 (0.43) OPRM1KMT2AEPHX1TRPA1SMN1; SMN2

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
WO-2020236808-A1 METHODS FOR PREPARING PSMA CONJUGATES ENDOCYTE, INC. (US) 2020-11-26 WO disclosed