SCHEMBL11446014

SCHEMBL11446014

COC(=O)CSC(C)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
UTS2R Q9UKP6 3/20 0.39
FFAR2 O15552 1/20 0.39
PRCP P42785 1/20 0.39
CNR2 P34972 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
PRNP P04156 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL11445361 0.87 FFAR1 (0.46) ALDH1A1MAPTFFAR1EGLN1
SCHEMBL11445412 0.87 PTGS2 (0.47) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL11464626 0.87 GRIA4 (0.39) ALDH1A1MAPTTDP1L3MBTL1FFAR1
SCHEMBL11445250 0.86 SRD5A2 (0.42) KMT2AMAPTMEN1CNR2PRNP
SCHEMBL11445292 0.85 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1FFAR1TP53
SCHEMBL11497744 0.85 ALOX5 (0.47) ALDH1A1KMT2AMEN1FFAR1TP53
SCHEMBL11445807 0.85 HPGD (0.40) SLC6A3ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL11446156 0.84 HAO1 (0.41) SLC6A4ALDH1A1GAA
SCHEMBL11445878 0.83 FFAR1 (0.49) SLC6A4SLC6A3ALDH1A1KMT2AMAPT
SCHEMBL11464804 0.82 AKR1C3 (0.41) SLC6A4SLC6A3ALDH1A1KMT2AMAPT

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-4191776-A ANTITHROMBOTICS, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DE) 1980-03-04 US disclosed
US-3993683-A ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-23 US disclosed