SCHEMBL4846865

SCHEMBL4846865

CCC(=O)NCCS.CCCC(O)C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.35
HDAC1 Q13547 7/20 0.33
HDAC2 Q92769 7/20 0.33
HDAC3 O15379 6/20 0.33
HDAC4 P56524 6/20 0.33
HDAC7 Q8WUI4 6/20 0.33
HDAC10 Q969S8 6/20 0.33
HDAC11 Q96DB2 6/20 0.33
HDAC8 Q9BY41 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
HDAC9 Q9UKV0 6/20 0.33
HDAC5 Q9UQL6 6/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL6413955 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1HDAC1HDAC2
SCHEMBL7069371 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1HDAC1HDAC2
SCHEMBL6394139 0.88 MEN1 (0.37) MEN1KMT2AALDH1A1HDAC1HDAC2
SCHEMBL5500614 0.86 PAOX (0.35) ALDH1A1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL4817591 0.86 PAOX (0.35) ALDH1A1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL6390850 0.86 MEN1 (0.39) MEN1KMT2AALDH1A1HDAC1HDAC2
SCHEMBL5829703 0.85 MEN1 (0.39) MEN1KMT2AALDH1A1HDAC1HDAC2
SCHEMBL6391281 0.85 MEN1 (0.39) MEN1KMT2AALDH1A1HDAC1HDAC2
SCHEMBL599199 0.78 CHRM1 (0.50) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL13747951 0.78 CHRM1 (0.50) HDAC1HDAC2CHRM1AKR1A1CHRM3

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-7459294-B2 Method of producing a compound by fermentation KOSAN BIOSCIENCES INCORPORATED (US) 2008-12-02 US disclosed
US-20050130283-A1 Method of producing a compound by fermentation KOSAN BIOSCIENCES, INC. (US) 2005-06-16 US disclosed