SCHEMBL29163915

SCHEMBL29163915

NCCCC(NC(=O)CC(N)Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 11/20 0.55
▸ ROCK2 O75116 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ GPR34 Q9UPC5 1/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45

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
SCHEMBL30753711 0.86 CALCRL (0.42) HDAC1
SCHEMBL29163529 0.86 CALCRL (0.42) HDAC1
SCHEMBL30753723 0.83 LTA4H (0.58) LTA4HROCK2FNTAFNTB
SCHEMBL7860801 0.77 LTA4H (0.51) LTA4HHDAC8HDAC1
SCHEMBL9489894 0.77 MEN1 (0.49) LTA4HROCK2HDAC1
Hydrochloric Acid SCHEMBL6286773 0.76 LTA4H (0.63) LTA4HHDAC8HDAC1ITGB3ITGA2B
SCHEMBL29164081 0.76 IDE (0.43) —
SCHEMBL17329292 0.75 KDM1A (0.58) HDAC8HDAC1
SCHEMBL3103486 0.75 KDM1A (0.58) HDAC8HDAC1
SCHEMBL29802269 0.75 KDM1A (0.58) HDAC8HDAC1

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-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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