SCHEMBL2387722

SCHEMBL2387722

CC(C)N(CCC=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31

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
SCHEMBL7675718 0.84 HIF1A (0.43) MEN1KMT2AALDH1A1TSHRHIF1A
SCHEMBL7677772 0.82 TSHR (0.42) MEN1KMT2AALDH1A1TSHRHIF1A
SCHEMBL27329689 0.79 MEN1 (0.40) MEN1KMT2A
SCHEMBL21532631 0.78 ALDH1A1 (0.36) ALDH1A1TSHRHIF1ATDP1ADH1B
SCHEMBL28249150 0.77 MEN1 (0.48) MEN1KMT2A
SCHEMBL29950931 0.76
SCHEMBL27996862 0.75 MEN1 (0.37) MEN1KMT2A
SCHEMBL27670031 0.74 MEN1 (0.46) MEN1KMT2A
SCHEMBL4582548 0.72 MEN1 (0.43) MEN1KMT2AALDH1A1TSHR
SCHEMBL29956145 0.72 ALDH1A1 (0.38) ALDH1A1TSHRTDP1

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 216 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1188420-C Fungicides for control of take-all disease of plants MONSANTO CO (US) 2005-02-09 CN claimed
CN-1546472-A Pyridyl alkane acid amides as cytostatics and immunosupressives ���ָ���ҩ�ɷ����޹�˾ 2004-11-17 CN claimed
CN-1133648-C Substituted phenylalanine-type compounds that inhibit VLA-4 mediated leukocyte adhesion ������˹ҩƷ��˾ 2004-01-07 CN claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
CN-1265668-A Substituted phenylalanine-type compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
CN-1228777-A Pyridylalkane-and pyridylalkyne-acid amides as cytostatics and immunosuppressants KLINGE CO CHEM PHARM FAB (DE) 1999-09-15 CN claimed
CN-1043641-C hydrogenated isoquinoline derivatives SMITHKLINE BEECHAM FARMA (IT) 1999-06-16 CN claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
CN-1132510-A Hydroisoquinoline derivatives SMITHKLINE BEECHAM FARMA (IT) 1996-10-02 CN claimed
CN-1030075-A The pyroles that replaces BAYER AG (DE) 1989-01-04 CN claimed
CN-110191880-A Isoxazolidin-5-one derivative and herbicide containing the same as active ingredient 北兴化学工业株式会社 2019-08-30 CN disclosed
CN-110191884-A Substituted 6- (1H-pyrazol-1-yl) pyrimidine-4-amine derivatives and uses thereof 拜耳公司 2019-08-30 CN disclosed
CN-110062790-A Stabiliser compositions 巴斯夫欧洲公司 2019-07-26 CN disclosed
CN-105408322-B Terazololine-one compound and application thereof 住友化学株式会社 2019-04-19 CN disclosed
CN-1029479-C Process for preparing benzoxazine derivatives YAMANOUCHI PHARMACEUTICAL KK (JP) 1995-08-09 CN disclosed
CN-1100422-A Novel derivative of benoxazine and pharmaceutical composition containing same YAMANOUCHI PHARMA CO LTD (JP) 1995-03-22 CN disclosed
CN-1100423-A Novel derivative of benoxazine and pharmaceutical composition containing same YAMANOUCHI PHARMA CO LTD (JP) 1995-03-22 CN disclosed
CN-1095065-A Isothizole derivatives, Preparation Method And The Use NIHON NOHYAKU CO LTD (JP) 1994-11-16 CN disclosed
CN-1051910-A Benzoxazine derivatives and pharmaceutical compositions containing them YAMANOUCHI PHARMRCEUTICAL (JP) 1991-06-05 CN disclosed