SCHEMBL4220904

SCHEMBL4220904

C=C(C(=O)O)c1c(-c2cc(C)cc(C(C)(C)C)c2O)cc(C)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
CA2 P00918 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
TYR P14679 1/20 0.49
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
HSPA5 P11021 1/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
HIF1A Q16665 2/20 0.41
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 2/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNFRSF1A P19438 1/20 0.34

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
SCHEMBL28421366 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL31049994 0.79 HSPA5 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL475644 0.79 HSPA5 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4886301 0.79 SMN1; SMN2 (0.77) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL30782815 0.79 SMN1; SMN2 (0.77) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL809462 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL6866098 0.77 SMN1; SMN2 (0.74) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4153741 0.76 CYP2C9 (0.43) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL25367107 0.72 HSPA5 (0.59) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL17126988 0.72 SMN1; SMN2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113583320-B Crosslinkable polyolefin composition, preparation method and application thereof, crosslinked polyolefin and application thereof 国家能源投资集团有限责任公司 2023-09-05 CN claimed
US-20090186987-A1 Processing Conditions Of Polyethylene Articles In Course Of Their Manufacture By Melt Processing CLARIANT FINANCE (BVI) LIMITED (VG) 2009-07-23 US disclosed