SCHEMBL10905765

SCHEMBL10905765

CCCCCC(CCCCC(=O)O)N(C(=S)Nc1ccccc1)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 8/20 0.46
▸ HDAC3 O15379 6/20 0.46
▸ HDAC6 Q9UBN7 6/20 0.46
▸ HDAC1 Q13547 5/20 0.46
▸ HDAC2 Q92769 5/20 0.46
▸ HDAC4 P56524 3/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ HDAC5 Q9UQL6 3/20 0.44
▸ ICMT O60725 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ SOAT2 O75908 1/20 0.43
▸ SOAT1 P35610 1/20 0.43
▸ SIRT2 Q8IXJ6 2/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ EPHX1 P07099 3/20 0.40

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
SCHEMBL10905761 0.87 MAPT (0.41) HDAC8HDAC3HDAC6HDAC1HDAC2
Stearic Acid SCHEMBL9469601 0.74 ALDH1A1 (0.56) HDAC11ICMTALBSOAT2SOAT1
SCHEMBL10906603 0.74 LTA4H (0.46) HDAC8HDAC3HDAC6HDAC1HDAC2
Hexanoate SCHEMBL28333349 0.74 SOAT2 (0.57) HDAC11ICMTALBSOAT2SOAT1
Stearic Acid SCHEMBL21838311 0.71 HSD17B10 (0.61) HDAC11SOAT2SOAT1EPHX1HTT
Stearic Acid SCHEMBL9317212 0.71 SOAT2 (0.52) HDAC8HDAC3HDAC6HDAC1HDAC2
Stearic Acid SCHEMBL9317244 0.71 SOAT2 (0.52) HDAC8HDAC3HDAC6HDAC1HDAC2
Behenic Acid SCHEMBL9316968 0.71 SOAT2 (0.52) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL8953270 0.71 FFAR4 (0.53) HDAC8HDAC3HDAC6HDAC1HDAC2
Diphenylamine SCHEMBL21145171 0.70 AKR1B1 (0.59) HDAC11SOAT2SOAT1GAAALDH1A1

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
US-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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