SCHEMBL7153089

SCHEMBL7153089

CC(=O)Cc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NR1H4 Q96RI1 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ ACACB O00763 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 3/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ ERN1 O75460 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL17653897 0.84 NR1H4 (0.58) ALDH1A1SMN1; SMN2HPGDNR1H4EPHX2
SCHEMBL9449839 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDNR1H4EPHX2
SCHEMBL8403545 0.80 POLB (0.61) ALDH1A1HPGDPOLBKMT2A
SCHEMBL1004649 0.80 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDNR1H4EPHX2
SCHEMBL16242064 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDNR1H4EPHX2
SCHEMBL4485529 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDNR1H4EPHX2
SCHEMBL505778 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDNR1H4EPHX2
SCHEMBL7151365 0.79 KMT2A (0.67) ALDH1A1SMN1; SMN2HPGDNR1H4EPHX2
SCHEMBL10775090 0.79 POLB (0.52) ALDH1A1SMN1; SMN2HPGDPOLBKMT2A
SCHEMBL8056783 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDNR1H4EPHX2

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 12 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
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