SCHEMBL26501532

SCHEMBL26501532

C=C1CC(C)(C)C(=O)N(CCCO)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
PABPC1 P11940 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.35
HTT P42858 3/20 0.34
KDM4E B2RXH2 3/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
RGS12 O14924 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL26180438 0.94 ALDH1A1 (0.38) ALDH1A1KMT2APABPC1L3MBTL1TSHR
SCHEMBL26501552 0.88 HTR1A (0.33) ALDH1A1HTTLMNARECQLRAB9A
SCHEMBL26501549 0.88 HTR1A (0.33) ALDH1A1HTTLMNARECQLRAB9A
SCHEMBL26501544 0.88 HTR1A (0.33) ALDH1A1HTTLMNARECQLRAB9A
SCHEMBL26501528 0.81 PTGS1 (0.45) ALDH1A1KMT2ATSHRKDM4EMEN1
SCHEMBL26501524 0.81 PTGS1 (0.45) ALDH1A1KMT2ATSHRKDM4EMEN1
SCHEMBL24410512 0.77 TSHR (0.43) ALDH1A1KMT2ATSHRHTTHSD17B10
SCHEMBL26180406 0.75 MEN1 (0.39) ALDH1A1KMT2ATSHRHTTHSD17B10
SCHEMBL9823908 0.73 ALDH1A1 (0.39) ALDH1A1KMT2APABPC1L3MBTL1TSHR
SCHEMBL26501812 0.72 MEN1 (0.39) ALDH1A1KMT2ATSHRHTTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed