SCHEMBL7990541

SCHEMBL7990541

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
CPA1 P15085 1/20 0.43
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 1/20 0.34
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
ADAM17 P78536 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL11165475 0.89 GRIK1 (0.38) GRIK1GRIK2CPA1ALDH1A1
SCHEMBL2591191 0.89 GRIK1 (0.44) GRIK1GRIK2CPA1ALDH1A1TSHR
SCHEMBL1728215 0.87
SCHEMBL5792720 0.87
SCHEMBL12417960 0.85 GRIK1 (0.39) GRIK1GRIK2CPA1ALDH1A1CYP2C19
SCHEMBL5065618 0.84 HDAC7 (0.45) GRIK1GRIK2CPA1ALDH1A1TSHR
SCHEMBL5661899 0.84 GRIK1 (0.42) GRIK1GRIK2CPA1ALDH1A1CYP2C19
SCHEMBL13995159 0.82 GRIK1 (0.37) GRIK1GRIK2CPA1ALDH1A1TSHR
SCHEMBL9845742 0.82 GRIK1 (0.41) GRIK1GRIK2CPA1MMP2MMP3
SCHEMBL5067753 0.80 CA2 (0.46) GRIK1GRIK2CPA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022045368-A1 FRESH CHEESE, METHOD FOR PRODUCING SAME, AND METHOD FOR ENHANCING CRISP AFTERTASTE OF SAME 株式会社明治 2022-03-03 WO claimed
CN-119822938-B Method for synthesizing 2- (3-hydroxypropyl) cyclododecanone 万华化学集团股份有限公司 2026-05-19 CN disclosed
CN-119822938-A Method for synthesizing 2- (3-hydroxypropyl) cyclododecanone 万华化学集团股份有限公司 2025-04-15 CN disclosed
CN-117222636-A Deuterated compounds as CDK4/6 inhibitors 甘李药业股份有限公司 2023-12-12 CN disclosed
WO-2022218247-A1 DEUTERATED COMPOUND AS CDK4/6 INHIBITOR 甘李药业股份有限公司 2022-10-20 WO disclosed
WO-2022045368-A1 FRESH CHEESE, METHOD FOR PRODUCING SAME, AND METHOD FOR ENHANCING CRISP AFTERTASTE OF SAME 株式会社明治 2022-03-03 WO disclosed
US-20190106584-A1 CYCLOPOLYMERIZABLE COMPOUNDS FOR 3D PRINTING 3D SYSTEMS, INC. 2019-04-11 US disclosed
US-6291068-B1 CORES WITH COATING LAYER, AMMONIUM POLYPHOSPHATE AND THERMOSETTING RESIN, MELAMINE MONOMER OR SURFACE TREATED LAYER CHISSO CORPORATION (JP) 2001-09-18 US disclosed
EP-0924166-A1 THERMOPLASTIC-COATED AMMONIUM POLYPHOSPHATE AND PROCESS FOR THE PREPARATION THEREOF CHISSO CORPORATION (JP) 1999-06-23 EP disclosed