SCHEMBL7152148

SCHEMBL7152148

CC(=O)Cc1cc(Cc2ccccc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.50
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
DAO P14920 2/20 0.43
ALDH1A1 P00352 1/20 0.41
CALM1 P0DP23 1/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
HNF4A P41235 1/20 0.38
MMP7 P09237 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL10717559 0.87 LTB4R (0.56) LTB4RMAPTNPSR1LMNADAO
SCHEMBL10688313 0.83 RPS6KB2 (0.49) LTB4RMAPTNPSR1LMNADAO
SCHEMBL14195281 0.80 LTB4R (0.64) LTB4RMAPTNPSR1LMNADAO
SCHEMBL5110360 0.78 LTB4R (0.53) LTB4RMAPTNPSR1LMNADAO
SCHEMBL10759918 0.77 LTB4R (0.47) LTB4RMAPTNPSR1LMNADAO
SCHEMBL23189011 0.77 MAPT (0.79) LTB4RMAPTNPSR1LMNADAO
SCHEMBL10680443 0.75 LTB4R (0.51) LTB4RMAPTLMNADAOALDH1A1
SCHEMBL10955976 0.74 CALM1 (0.46) LTB4RDAOALDH1A1CALM1MMP7
SCHEMBL17833685 0.73 LTB4R (0.80) LTB4RMAPTLMNADAOALDH1A1
SCHEMBL15877409 0.73 DAO (0.74) LTB4RMAPTNPSR1LMNADAO

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-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 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
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