SCHEMBL8070513

SCHEMBL8070513

C=CC(=O)Oc1c(O)cccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
TYMS P04818 1/20 0.39
CA12 O43570 4/20 0.38
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
THRA P10827 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
AKT1 P31749 1/20 0.34
ALOX15 P16050 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
EGFR P00533 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ERN1 O75460 1/20 0.33
ALDH5A1 P51649 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
SCHEMBL6658293 0.87 KMT2A (0.40) THRBCA1CA2TYMSTHRA
SCHEMBL28944794 0.84 THRB (0.47) THRBCA1CA2CA12CA7
SCHEMBL6653138 0.84 TP53 (0.47) THRBCA1CA2CA12CA7
SCHEMBL3423786 0.83 THRB (0.33) THRBCA1CA2TYMSTHRA
SCHEMBL27934571 0.82 ABL1 (0.39) THRBCA1CA2TYMSTHRA
SCHEMBL4600744 0.82 GPR35 (0.47) TDP1ERN1RECQLMEN1MAPT
SCHEMBL5612329 0.81 LIG1 (0.42) ESR1ESR2AKT1ALOX15HSD17B10
SCHEMBL6156577 0.81 THRB (0.51) THRBTHRAALOX15HSD17B10MMP2
SCHEMBL8070515 0.80 HSD17B10 (0.45) THRBCA1CA2TYMSCA12
SCHEMBL31295365 0.80 HSD17B10 (0.45) THRBCA1CA2TYMSCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342953-A Use of rosmarinic acid and analogues thereof in the treatment of vascular diseases 西北大学 2024-01-05 CN disclosed
CN-117304022-A Method for synthesizing rosmarinic acid and analogues thereof 西北大学 2023-12-29 CN disclosed
CN-103421442-A Moisture-proof material NITTO DENKO CORP 2013-12-04 CN disclosed
EP-0756204-B1 Photopolymerizable composition and photosensitive lithographic printing plate employing it MITSUBISHI CHEM CORP (JP) 2000-09-20 EP disclosed
US-5837422-A ON A SUSTRATE CONTATINING ADDITION POLYMERIZABLE UNSATURATED BONDS WITH AND WITHOUT URETHANE BONDS; HIGH SENSITIVITY TO LIGNT IN VISIBLE REGION AND EXCELLENT DEVELOPABILITY MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-17 US disclosed
EP-0756204-A1 Photopolymerizable composition and photosensitive lithographic printing plate employing it MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-29 EP disclosed
US-4910119-A Blend of acrylated ester, unsaturated compound and photoinitiator HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
US-4554346-A REACTION WITH UNSATURATED HYDROXY COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-11-19 US disclosed