SCHEMBL9016945

SCHEMBL9016945

CCCCC(CC)CC(S)C(CC(CC)CCCC)(CC(CC)CCCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 4/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 2/20 0.37
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC1A3 P43003 1/20 0.33

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
SCHEMBL5343154 0.86 CA2 (0.42) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5475897 0.81 CA2 (0.41) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL16712426 0.81 CA2 (0.40) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5482192 0.79 CA2 (0.38) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5475669 0.78 CA2 (0.41) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL465484 0.75 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL453703 0.74 CA2 (0.48) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL4274278 0.73 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5718430 0.73 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL424113 0.73 CA2 (0.48) CA2ALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5518662-A MIXING AN ORGANOTIN MERCAPTOCARBOXYLIC ACID ESTER WITH A BUTYLTIN CARBOXYLATE ARGUS CHEMICAL CORPORATION (US) 1996-05-21 US disclosed
US-5516821-A HEAT AND LIGHT RESISTANCE, ORGANOTIN STABILIZER ARGUS CHEMICAL CORPORATION (US) 1996-05-14 US disclosed
US-4988751-A Organotin stabilizer, molybdenum smoke retardant for halogenated vinyl polymer WITCO CORPORATION (US) 1991-01-29 US disclosed
EP-0396345-A1 Halogenated vinyl polymer composition and method for stabilizing halogenated vinyl polymer composition containing smoke retardants WITCO CORPORATION (US) 1990-11-07 EP disclosed