SCHEMBL25507697

SCHEMBL25507697

CC(C)(C)OC(=O)N1CCN(CCCCCCCC=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.43
KMT5A Q9NQR1 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR8 Q9NR97 1/20 0.43
EPHX2 P34913 5/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL1715473 1.00 ACKR3 (0.43) ACKR3KMT5AUSP2SMN1; SMN2TLR8
SCHEMBL25507305 0.99 ACKR3 (0.44) ACKR3KMT5AUSP2SMN1; SMN2TLR8
SCHEMBL24568430 0.94 ACKR3 (0.45) ACKR3KMT5AUSP2SMN1; SMN2TLR8
SCHEMBL8901826 0.91 ACKR3 (0.40) ACKR3KMT5AUSP2SMN1; SMN2TLR8
SCHEMBL8253901 0.89 USP2 (0.51) ACKR3KMT5AUSP2SMN1; SMN2TLR8
SCHEMBL4202607 0.88 USP2 (0.47) ACKR3USP2SMN1; SMN2TLR8EPHX2
SCHEMBL15585975 0.87 TLR8 (0.42) ACKR3KMT5AUSP2SMN1; SMN2TLR8
SCHEMBL27618607 0.87 TLR8 (0.42) ACKR3KMT5AUSP2SMN1; SMN2TLR8
SCHEMBL16744141 0.86 USP2 (0.43) ACKR3KMT5AUSP2SMN1; SMN2TLR8
SCHEMBL20873847 0.85 USP2 (0.53) ACKR3USP2SMN1; SMN2TLR8EPHX2

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-2023097020-A1 HETEROBIFUNCTIONAL COMPOUNDS AS HPK1 DEGRADERS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-01 WO disclosed