SCHEMBL24426540

SCHEMBL24426540

CONCC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(C)cc1C)C(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
CYP2D6 P10635 4/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
BRD4 O60885 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL21343905 0.89 FFAR4 (0.32) MEN1KMT2ASMN1; SMN2ALDH1A1BRD4
SCHEMBL21343738 0.88 MAPK1 (0.32) MAPK1
SCHEMBL21344722 0.87 HSP90AA1 (0.36) ALDH1A1
SCHEMBL21343740 0.85 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL21343687 0.81 KDM4E (0.39) MEN1KMT2AALDH1A1TSHR
SCHEMBL21361221 0.81 USP2 (0.40) MEN1KMT2ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL21344745 0.78 FFAR4 (0.32)
SCHEMBL21343876 0.78 MGLL (0.33)
SCHEMBL21344641 0.77 ACACB (0.42) MEN1KMT2A
SCHEMBL22859582 0.77 FFAR4 (0.32)

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-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed