SCHEMBL10720569

SCHEMBL10720569

COCCC1CCN(C(=O)c2cccc(C(=O)N3CCC(CCOC)CC3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.60
▸ L3MBTL3 Q96JM7 4/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ EPHX1 P07099 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ RBP4 P02753 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ MGLL Q99685 2/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ ACHE P22303 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
SCHEMBL10724025 0.88 AKR1C3 (0.58) AKR1C3L3MBTL3L3MBTL1HDAC3HDAC4
SCHEMBL10720507 0.86 L3MBTL3 (0.50) AKR1C3L3MBTL3L3MBTL1EPHX1EPHX2
SCHEMBL10723988 0.84 L3MBTL3 (0.56) L3MBTL3L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL10723232 0.82 HDAC3 (0.55) L3MBTL3L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL10724068 0.81 L3MBTL3 (0.59) L3MBTL3L3MBTL1MGLLACHE
SCHEMBL8825319 0.80 ALDH1A1 (0.55) L3MBTL1MGLLHSD11B1
SCHEMBL8825350 0.79 L3MBTL1 (0.61) L3MBTL1MGLLHSD11B1
SCHEMBL21078267 0.79 AKR1C3 (0.50) AKR1C3L3MBTL3HDAC3HDAC4HDAC1
SCHEMBL8825167 0.78 MGLL (0.60) L3MBTL1MGLLHSD11B1
SCHEMBL10724154 0.78 L3MBTL3 (0.52) L3MBTL3L3MBTL1EPHX1EPHX2MGLL

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-4665410-A THERMOGRAPHY RICOH COMPANY, LTD. (JP) 1987-05-12 — — US disclosed
US-4663641-A LEUCO DYES; DECOLORIZING AGENTS, PIPERAZINE COMPOUND; AMIDES AND TERTIARY AMINES RICOH COMPANY, LTD. (JP) 1987-05-05 — — US disclosed
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