SCHEMBL29325847

SCHEMBL29325847

O=C(OC1CC2CC1C1CCCC21)C1CC2C=CC1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
BLM P54132 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CA12 O43570 2/20 0.46
GMNN O75496 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SGMS1 Q86VZ5 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL30280439 0.79 KDM4E (0.37) ALDH1A1LMNABLMTDP1RAB9A
SCHEMBL12514940 0.77 LMNA (0.42) ALDH1A1MAPTLMNABLMTDP1
SCHEMBL13382568 0.76 LMNA (0.50) ALDH1A1MAPTLMNABLMTDP1
SCHEMBL3870095 0.75 KDM4E (0.41) ALDH1A1LMNABLMTDP1RAB9A
SCHEMBL22263990 0.74 KDM4E (0.35) ALDH1A1LMNABLMTDP1RAB9A
SCHEMBL22263653 0.74
SCHEMBL3870190 0.73 ATM (0.43) ALDH1A1LMNABLMTDP1RAB9A
SCHEMBL3365931 0.73 LMNA (0.47) ALDH1A1MAPTLMNABLMTDP1
SCHEMBL13764625 0.73 KDM4E (0.39) ALDH1A1LMNABLMTDP1RAB9A
SCHEMBL947840 0.72 LMNA (0.46) ALDH1A1MAPTLMNABLMTDP1

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-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed
US-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed