SCHEMBL27361196

SCHEMBL27361196

CC(C)(C)c1cc(CN)cc(C(C)(C)C)c1OP(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
DHFR P00374 1/20 0.33
CYP1A2 P05177 3/20 0.33
MAPK1 P28482 3/20 0.33
MEN1 O00255 2/20 0.33
CYP3A4 P08684 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 2/20 0.33
HIF1A Q16665 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX15 P16050 2/20 0.33
GMNN O75496 1/20 0.33
GABBR2 O75899 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL27544792 0.78 CSNK2A1 (0.37) ALDH1A1TSHRLMNAGAACYP1A2
SCHEMBL28916888 0.78 GAA (0.44) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL5865457 0.77 GABRA1 (0.38) ALDH1A1TSHRLMNACYP1A2CYP3A4
SCHEMBL29131689 0.77 ALDH1A1 (0.42) ALDH1A1TSHRLMNAGAACYP1A2
SCHEMBL9158374 0.77 DHFR (0.49) ALDH1A1TSHRLMNAGAADHFR
SCHEMBL1664850 0.77 SMN1; SMN2 (0.50) ALDH1A1TSHRCYP1A2CYP3A4HIF1A
SCHEMBL27585599 0.77 CYP2C19 (0.33) ALDH1A1TSHRGAACYP1A2MAPK1
SCHEMBL28378736 0.76 KMT2A (0.36) ALDH1A1TSHRGAACYP1A2MAPK1
SCHEMBL28819939 0.76 MEN1 (0.33) ALDH1A1TSHRLMNADHFRCYP1A2
SCHEMBL27494716 0.74 MEN1 (0.34) ALDH1A1TSHRLMNADHFRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068076-C Polyhexamethyleneadipamide fiber and process for producing the fiber ASAHI CHEMICAL IND (JP) 2001-07-04 CN claimed
CN-1151770-A Polyhexamethyleneadipamide fiber and process for producing the fiber ASAHI CHEMICAL IND (JP) 1997-06-11 CN claimed
CN-107177296-B A kind of wood composite coating 浙江润格木业科技有限公司 2019-06-07 CN disclosed
CN-107861336-A Red hardening resin composition, the colour filter formed by red hardening resin composition, the display device comprising colour filter 东友精细化工有限公司 2018-03-30 CN disclosed
CN-105555869-B Amilan polyamide resin composition and products formed 旭化成株式会社 2018-01-16 CN disclosed
CN-107250274-A Amilan polyamide resin composition, the manufacture method of Amilan polyamide resin composition and products formed 旭化成株式会社 2017-10-13 CN disclosed
CN-104497272-B Photocurable composition and solidfied material 株式会社钟化 2017-06-23 CN disclosed
CN-102939550-B Phase retardation film and the image display device possessing this phase retardation film 株式会社日本触媒 2016-11-23 CN disclosed
CN-104919022-B Mine pit treatment fluid material and the mine pit treatment fluid containing this mine pit treatment fluid material 株式会社吴羽 2016-07-27 CN disclosed
CN-102955286-B Liquid crystal display 富士胶片株式会社 2016-07-06 CN disclosed
CN-102171268-B Photocurable composition and cured product KANEKA CORP. (JP) 2016-05-18 CN disclosed
CN-1723084-A Method for storing group VIIIB metal-organic phosphite complex catalytic liquid MITSUBISHI CHEM CORP (JP) 2006-01-18 CN disclosed
CN-1225444-C Process for producing aldehydes MITSUBISHI CHEM CORP (JP) 2005-11-02 CN disclosed
CN-1678453-A Composite material and preparation method thereof DAICEL DEGUSSA LTD (JP) 2005-10-05 CN disclosed
CN-1608093-A Crystalline polyglycolic acid, polyglycolic acid composition, and processes for producing these KUREHA CHEMICAL IND CO LTD (JP) 2005-04-20 CN disclosed
CN-1175047-C Aromatic polycarbonate composition ������������ʽ���� 2004-11-10 CN disclosed
CN-1525986-A Polyhydroxycarboxylic acid and its production process ��Ԩ��ѧ��ҵ��ʽ���� 2004-09-01 CN disclosed
CN-1504524-A Pressure sensitive adhesive composition 株式会社日本触媒 2004-06-16 CN disclosed
CN-1492848-A Process for producing aldehydes ������ѧ��ʽ���� 2004-04-28 CN disclosed
CN-1351632-A Aromatic polycarbonate composition TEIJIN LTD (JP) 2002-05-29 CN disclosed