SCHEMBL6943788

SCHEMBL6943788

CCCC(CCOC(=O)OCC)SC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SOAT1 P35610 1/20 0.38
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL585432 0.84 POLB (0.33) ALDH1A1SOAT1HDAC3HDAC4HDAC1
SCHEMBL585431 0.84 POLB (0.33) ALDH1A1SOAT1HDAC3HDAC4HDAC1
SCHEMBL714717 0.80 ALDH1A1 (0.34) ALDH1A1SOAT1HDAC3HDAC4HDAC1
SCHEMBL714716 0.80 ALDH1A1 (0.34) ALDH1A1SOAT1HDAC3HDAC4HDAC1
SCHEMBL18113150 0.77 MGAM (0.39) ALDH1A1LMNAHSD17B10
SCHEMBL18050588 0.73 ALDH1A1 (0.50) ALDH1A1SOAT1HDAC3HDAC4HDAC1
SCHEMBL28181516 0.72 ALDH1A1 (0.37) ALDH1A1SOAT1HDAC3HDAC4HDAC1
SCHEMBL8023085 0.71 ALOX15 (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5511449 0.71 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL9624976 0.71 ALDH1A1 (0.52) ALDH1A1SOAT1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816322-B1 Fragrance precursors GIVAUDAN SA (CH) 2003-03-26 EP claimed
US-6306818-B1 ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-23 US claimed
EP-0816322-A1 Fragrance precursors GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP claimed
EP-0816322-B1 Fragrance precursors GIVAUDAN SA (CH) 2003-03-26 EP disclosed
US-6306818-B1 ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-23 US disclosed
EP-0816322-A1 Fragrance precursors GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP disclosed