SCHEMBL30408367

SCHEMBL30408367

Cc1ccc(C(=O)CC[C@@H]2COC(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTNNB1 P35222 3/20 0.42
WNT3A P56704 3/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
GSK3B P49841 1/20 0.39
NAMPT P43490 3/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL25417926 0.87 TMEM97 (0.49) LMNAKMT2ATMEM97SIGMAR1NAMPT
SCHEMBL30408817 0.85 L3MBTL1 (0.48) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL25416291 0.85 L3MBTL1 (0.48) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL765022 0.77 NAMPT (0.61) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL30969743 0.74 CYP3A4 (0.44) LMNAKMT2AALDH1A1CTNNB1TMEM97
SCHEMBL7154220 0.74 CA2 (0.44) ALDH1A1NPSR1TMEM97SIGMAR1NAMPT
SCHEMBL7157022 0.74 CA2 (0.44) ALDH1A1NPSR1TMEM97SIGMAR1NAMPT
SCHEMBL5316548 0.74 CA2 (0.44) ALDH1A1NPSR1TMEM97SIGMAR1NAMPT
SCHEMBL25192568 0.73 CYP3A4 (0.43) LMNASMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL14417936 0.72 CA2 (0.42) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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
CN-118215656-A Cyclic acetals and ketals for photoinduction-released active aldehydes and ketones 弗门尼舍有限公司 2024-06-18 CN disclosed