SCHEMBL9016949

SCHEMBL9016949

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.47
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 3/20 0.35

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
SCHEMBL11355584 0.86 CA2 (0.50) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5157975 0.84 CA2 (0.49) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL44319 0.83 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL141910 0.81 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
Ammonia Solution, Strong SCHEMBL16192514 0.81 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL2440934 0.81 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
Ammonia Solution, Strong SCHEMBL16192510 0.81 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL11185505 0.81 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL2802518 0.81 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL1702351 0.80 CA2 (0.49) 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 3 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