SCHEMBL7152142

SCHEMBL7152142

CC(=O)Cc1ccc(SCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HAO1 Q9UJM8 1/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 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
SCHEMBL10717547 0.86 AKR1B1 (0.63) SLC6A4ALDH1A1KDM4EPPARGPPARA
SCHEMBL11161442 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10688303 0.82 FFAR1 (0.55) SLC6A4ALDH1A1KDM4EPPARGPPARA
SCHEMBL4369434 0.82 APP (0.62) ALDH1A1MAOAMAOBPOLBLMNA
SCHEMBL1331954 0.81 CES1 (0.64) ALDH1A1KDM4EMEN1KMT2APOLB
Benzene SCHEMBL2333780 0.81 CES1 (0.64) ALDH1A1KDM4EMEN1KMT2APOLB
Benzene SCHEMBL10503945 0.81 CES1 (0.64) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL9688483 0.81 CES1 (0.64) ALDH1A1KDM4EMEN1KMT2APOLB
Benzene SCHEMBL3421936 0.81 CES1 (0.64) ALDH1A1KDM4EMEN1KMT2APOLB
Benzene SCHEMBL7058395 0.81 CES1 (0.64) ALDH1A1KDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
EP-0089154-A2 Ethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1983-09-21 EP disclosed