SCHEMBL25148205

SCHEMBL25148205

CC(C)(C)OC(=O)CCC(=O)N1CCOCCNCCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.51
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CTSD P07339 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
RECQL P46063 1/20 0.41
FKBP1A P62942 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30964113 0.91 POLB (0.64) POLBLMNATSHRALDH1A1GLA
SCHEMBL19478687 0.81 GLA (0.68) POLBLMNATSHRALDH1A1GLA
SCHEMBL25148143 0.78 SMN1; SMN2 (0.45) POLBTSHRALDH1A1USP2SMN1; SMN2
SCHEMBL7472743 0.78 SMN1; SMN2 (0.81) POLBLMNATSHRUSP2SMN1; SMN2
SCHEMBL16412166 0.77 SMN1; SMN2 (0.59) POLBLMNATSHRALDH1A1GLA
SCHEMBL25148548 0.77 SMN1; SMN2 (0.49) POLBLMNATSHRALDH1A1GLA
SCHEMBL8276140 0.77 ATM (0.50) POLBLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL8001888 0.77 GLA (0.81) POLBLMNATSHRALDH1A1GLA
SCHEMBL31129062 0.76 KMT2A (0.49) POLBLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL6203138 0.75 SIGMAR1 (0.43) TSHRUSP2SMN1; SMN2CTSDCTSL

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-2023061405-A1 HIGHLY-STABLE TARGETED LINKER-DRUG CONJUGATE 成都科岭源医药技术有限公司 2023-04-20 WO disclosed