SCHEMBL8214569

SCHEMBL8214569

COC(=O)C(C)CC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ESRRB O95718 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.33
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
TSHR P16473 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL18407615 1.00 ALDH1A1 (0.48) ALDH1A1TDP1ESRRBSMN1; SMN2MGAM
SCHEMBL14870828 0.81 ESRRB (0.41) ALDH1A1TDP1ESRRBSMN1; SMN2MGAM
SCHEMBL774101 0.80 TSHR (0.43) ESRRBSMN1; SMN2MGAMGAASI
SCHEMBL2577494 0.80 ESRRB (0.44) TDP1ESRRBSMN1; SMN2CA14CA12
SCHEMBL5019083 0.80 ESRRB (0.44) TDP1ESRRBSMN1; SMN2CA14CA12
SCHEMBL186433 0.80 TSHR (0.43) ESRRBSMN1; SMN2MGAMGAASI
SCHEMBL457924 0.80 ESRRB (0.44) TDP1ESRRBSMN1; SMN2CA14CA12
SCHEMBL1878449 0.80 TSHR (0.43) ESRRBSMN1; SMN2MGAMGAASI
SCHEMBL7602109 0.78 CA14 (0.41) ALDH1A1ESRRBSMN1; SMN2CA14CA12
SCHEMBL5613427 0.78 ALDH1A1 (0.46) ALDH1A1TDP1MGAMGAASI

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119654330-A STING agonist compounds 苏特罗生物制药公司 2025-03-18 CN disclosed
US-20240158719-A1 METHOD FOR FRACTIONATING A SHEA EXTRACT BIOSYNTHIS (FR) 2024-05-16 US disclosed
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed
WO-2017197555-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-11-23 WO disclosed
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20110218289-A1 MIXTURE COMPOSITION CONTAINING COPOLYMERS BASED ON UNSATURATED CARBOXYLIC ACID AND ALKENYL ETHER DERIVATIVES AND COPOLYMERS AND TERPOLYMERS CONTAINING SULFO GROUPS AND USE THEREOF MAIER MARKUS 2011-09-08 US disclosed
CN-1792474-A Ceramic sprayed member-cleaning method, program for implementing the method, storage medium storing the program, and ceramic sprayed member TOKYO ELECTRON LTD (JP) 2006-06-28 CN disclosed
WO-2000031012-A1 PROCESS FOR PRODUCTION OF AN ALLYLOXY CARBOXYLIC ACID PERSTORP AB (SE) 2000-06-02 WO disclosed
US-5886209-A CATALYTIC ESTERIFICATION OF THE CHIRALIC CARBOXYLIC ACID IN PRESENCE OF A DISTILLABLE ACID CATALYST WITH AN ALCOHOL, WITHOUT PURIFICATION OF THE BOTTOMS PRODUCT, REPEATING THE ESTERIFICATION STEP BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed