SCHEMBL9503965

SCHEMBL9503965

COc1ccc(C(=O)CC(CC(=O)c2ccc(OC)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
ATM Q13315 1/20 0.56
SLC2A1 P11166 1/20 0.55
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
ESR2 Q92731 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
CYP1A2 P05177 2/20 0.48
GSK3B P49841 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL9505825 0.84 ALDH1A1 (0.49) L3MBTL1ATMMAPTLMNAGSK3B
SCHEMBL9503695 0.82 POLB (0.54) L3MBTL1MAPTLMNANPC1CYP1A2
SCHEMBL9503986 0.82 KMT2A (0.56) L3MBTL1ATMMAPTLMNANPC1
SCHEMBL10584594 0.82 L3MBTL1 (0.73) L3MBTL1MAPTLMNANPC1RAB9A
SCHEMBL9505856 0.82 L3MBTL1 (0.63) L3MBTL1ATMMAPTLMNANPC1
SCHEMBL11479525 0.79 ALDH1A1 (0.50) L3MBTL1ATMSLC2A1MAPTLMNA
SCHEMBL809634 0.78 L3MBTL1 (0.67) L3MBTL1MAPTLMNANPC1RAB9A
SCHEMBL16624890 0.78 L3MBTL1 (0.81) L3MBTL1ATMMAPTLMNANPC1
SCHEMBL812999 0.78 L3MBTL1 (0.67) L3MBTL1MAPTLMNANPC1RAB9A
SCHEMBL19071295 0.78 L3MBTL1 (0.81) L3MBTL1ATMMAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395991-B1 3-AMINOPHENYL-1,5-PENTANEDIONES BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
US-5053524-A Intermediate for synthesis of triphenylcyclopentadiene dyes BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed