SCHEMBL8989748

SCHEMBL8989748

CCCCCSCC(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
THRB P10828 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PRKD3 O94806 3/20 0.44
PRKCG P05129 3/20 0.44
PRKCB P05771 3/20 0.44
PRKCA P17252 3/20 0.44
PRKCH P24723 3/20 0.44
PRKCI P41743 3/20 0.44
PRKCE Q02156 3/20 0.44
PRKCQ Q04759 3/20 0.44
PRKCZ Q05513 3/20 0.44
PRKCD Q05655 3/20 0.44
PRKD1 Q15139 3/20 0.44

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
SCHEMBL11736410 0.85 CES2 (0.45) CES2THRBGMNNTP53POLB
SCHEMBL11738896 0.83 CES2 (0.48) CES2THRBGMNNTP53POLB
SCHEMBL11740399 0.83 CES2 (0.48) CES2THRBGMNNTP53POLB
SCHEMBL1872846 0.83 CES2 (0.48) CES2THRBGMNNTP53POLB
SCHEMBL7709825 0.83 CES2 (0.48) CES2THRBGMNNTP53POLB
SCHEMBL11419323 0.81 CES2 (0.47) CES2THRBGMNNTP53POLB
SCHEMBL10681628 0.81 CES2 (0.47) CES2THRBGMNNTP53POLB
SCHEMBL8986396 0.81 CES2 (0.47) CES2THRBGMNNTP53POLB
SCHEMBL7712222 0.81 CES2 (0.47) CES2THRBGMNNTP53POLB
SCHEMBL11857420 0.81 CES2 (0.47) CES2THRBGMNNTP53POLB

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
EP-0556680-B1 Process for the preparation of benzo(b)thiophenes BASF AG (DE) 1996-07-17 EP disclosed
EP-0556680-A1 Process for the preparation of benzo(b)thiophenes BASF Aktiengesellschaft (DE) 1993-08-25 EP disclosed