SCHEMBL8705659

SCHEMBL8705659

O=CCC(NCCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.50
ACE P12821 1/20 0.48
KMT2A Q03164 2/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL11329933 0.83 GAA (0.44) ACEALDH1A1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL27699637 0.81 MME (0.56) GGT1ACEKMT2ASIGMAR1MME
SCHEMBL27699635 0.81 MME (0.56) GGT1ACEKMT2ASIGMAR1MME
SCHEMBL7469306 0.81 GGT1 (0.54) GGT1ACEKMT2AOPRK1MEN1
SCHEMBL7469320 0.81 GGT1 (0.54) GGT1ACEKMT2AOPRK1MEN1
SCHEMBL8609013 0.81 GGT1 (0.54) GGT1ACEKMT2AOPRK1MEN1
SCHEMBL27961435 0.80 GGT1 (0.52) GGT1KMT2AMEN1TSHRSIGMAR1
SCHEMBL19419061 0.80 GGT1 (0.52) GGT1KMT2AMEN1TSHRSIGMAR1
SCHEMBL27849653 0.80 POLB (0.53) GGT1KMT2AOPRK1MEN1TSHR
SCHEMBL3451049 0.77 ALDH1A1 (0.54) GGT1ACEKMT2AMEN1TSHR

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-11919928-B2 Method for producing dihydrotentoxin KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-03-05 US disclosed
CN-108779457-B Gene involved in synthesis of tetrodotoxin, dihydrotetrodotoxin or tetrodotoxin production method using same, and transformant containing same 组合化学工业株式会社 2022-09-13 CN disclosed
EP-3431599-B1 A TENTOXIN SYNTHESIS GENE, A METHOD FOR PRODUCING TENTOXIN OR DIHYDROTENTOXIN USING THE SAME, AND A TRANSFORMANT COMPRISING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 2022-06-15 EP disclosed
US-20220024996-A1 TENTOXIN SYNTHESIS GENE, A METHOD FOR PRODUCING TENTOXIN OR DIHYDROTENTOXIN USING THE SAME, AND A TRANSFORMANT COMPRISING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2022-01-27 US disclosed
US-11174297-B2 Tentoxin synthesis gene, a method for producing tentoxin or dihydrotentoxin using the same, and a transformant comprising the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-11-16 US disclosed
US-20190100565-A1 A TENTOXIN SYNTHESIS GENE, A METHOD FOR PRODUCING TENTOXIN OR DIHYDROTENTOXIN USING THE SAME, AND A TRANSFORMANT COMPRISING THE SAME NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-04-04 US disclosed
EP-2944184-B1 USE OF CYCLOHEXANEDIONECARBOXYLIC ACID DERIVATIVES FOR INCREASING YIELD AMOUNT AND CONTENT OF AMINO ACIDS IN SOLANACAEA CROP KUMIAI CHEMICAL INDUSTRY CO (JP) 2019-02-06 EP disclosed
EP-3431599-A1 TENTOXIN SYNTHESIS-RELATED GENE, DIHYDROTENTOXIN OR TENTOXIN PRODUCTION METHOD USING SAME, AND TRANSFORMANT HAVING SAME National Institute of Advanced Industrial Science and Technology (JP) 2019-01-23 EP disclosed
CN-108779457-A Gene involved in synthesis of tetrodotoxin, dihydrotetrodotoxin or tetrodotoxin production method using same, and transformant containing same 国立研究开发法人产业技术综合研究所 2018-11-09 CN disclosed
EP-2944184-A1 AGENT FOR INCREASING YIELD AMOUNT AND CONTENT OF AMINO ACIDS IN SOLANACAEA CROP Kumiai Chemical Industry Co., Ltd. (JP) 2015-11-18 EP disclosed
EP-2819518-A1 ACTIVE COMPOUND COMBINATIONS CONTAINING A THIAZOYLISOXAZOLINE AND A FUNGICIDE Bayer Intellectual Property GmbH (DE) 2015-01-07 EP disclosed
WO-2013127704-A1 ACTIVE COMPOUND COMBINATIONS CONTAINING A THIAZOYLISOXAZOLINE AND A FUNGICIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-06 WO disclosed
US-5846942-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1998-12-08 US disclosed