SCHEMBL5987028

SCHEMBL5987028

CC(C)C(OC(=O)CBr)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
FAAH O00519 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSK P43235 1/20 0.33
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.30

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
SCHEMBL9885358 0.79 LMNA (0.41) ALDH1A1CYP2C19MMP1MMP2MMP3
SCHEMBL140868 0.79
SCHEMBL4438144 0.79 TRPA1 (0.46) TRPA1ALDH1A1CYP2C19L3MBTL1MMP1
SCHEMBL17768384 0.77
SCHEMBL2170363 0.77 CYP2C19 (0.38) ALDH1A1CYP2C19MMP1MMP2MMP3
SCHEMBL19500208 0.76 TRPA1 (0.39) TRPA1ALDH1A1CYP2C19L3MBTL1MMP1
SCHEMBL24201024 0.75 MMP1 (0.34) CYP2C19MMP1MMP2MMP3MMP9
SCHEMBL6892654 0.75 MMP1 (0.59) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL16904007 0.75
SCHEMBL9471232 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9182668-B2 Patterning process, resist composition, polymer, and monomer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20140308614-A1 PATTERNING PROCESS, RESIST COMPOSITION, POLYMER, AND MONOMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-16 US disclosed
US-7144902-B1 Prodrugs of thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2006-12-05 US disclosed