SCHEMBL11042704

SCHEMBL11042704

[CH2]CCCCCC(=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.50
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ STS P08842 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ HSD17B3 P37058 5/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3023195 0.98 TP53 (0.55) MAPTALDH1A1TP53THRBHTT
SCHEMBL17937297 0.86 PARP10 (0.60) MAPTALDH1A1TP53THRBHTT
SCHEMBL27663748 0.84 HSD17B3 (0.60) MAPTALDH1A1TP53THRBHTT
SCHEMBL19043416 0.84 PARP10 (0.62) MAPTALDH1A1TP53THRBHTT
SCHEMBL13492946 0.84 ALDH1A1 (0.56) MAPTALDH1A1TP53THRBHTT
SCHEMBL27434152 0.83 HDAC8 (0.68) MAPTALDH1A1KMT2AHDAC8HDAC1
SCHEMBL7925884 0.83 STS (0.59) MAPTALDH1A1TP53THRBHTT
SCHEMBL19043534 0.82 ALDH1A1 (0.51) MAPTALDH1A1TP53THRBHTT
SCHEMBL7625396 0.82 KMT2A (0.45) MAPTALDH1A1TP53THRBHTT
SCHEMBL7627643 0.82 KMT2A (0.45) MAPTALDH1A1TP53THRBHTT

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
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 — — US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 — — US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 — — US disclosed
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