SCHEMBL29348706

SCHEMBL29348706

CC(CI)Cc1cc[nH]c(=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PPARG P37231 1/20 0.35
RIN1 Q13671 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
NOTUM Q6P988 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
ALDH2 P05091 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
XDH P47989 1/20 0.31
P2RX3 P56373 1/20 0.30
HPGDS O60760 1/20 0.30
PLA2G7 Q13093 1/20 0.30

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
SCHEMBL16885240 0.82 MEN1 (0.46) OPRM1OPRD1OPRK1NSD2ABL1
SCHEMBL6989796 0.79 PNMT (0.46)
SCHEMBL27943066 0.71 GPR84 (0.40) OPRM1OPRD1OPRK1NSD2ABL1
SCHEMBL885378 0.71
SCHEMBL21961226 0.70 ABL1 (0.36) OPRM1OPRD1OPRK1NSD2ABL1
SCHEMBL6929568 0.69
SCHEMBL13660763 0.68 GPR84 (0.43) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL31370114 0.68 OPRM1 (0.39) OPRM1OPRD1OPRK1NSD2ABL1
SCHEMBL31370128 0.68 OPRM1 (0.39) OPRM1OPRD1OPRK1NSD2ABL1
SCHEMBL5282858 0.68 SLC7A5 (0.54)

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed