SCHEMBL28356014

SCHEMBL28356014

CCCCCCCCCCCCCCCCCCC(c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CA2 P00918 1/20 0.49
POLB P06746 1/20 0.49
TYR P14679 1/20 0.49
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2D6 P10635 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HSPA5 P11021 1/20 0.45
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL10658898 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29140619 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10658678 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4345787 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL9068045 0.94 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
Acrylic Acid SCHEMBL10708956 0.90 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL70420 0.88 CYP2C9 (0.58) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL14494196 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3129707 0.86 CYP2C9 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10663388 0.85 CYP2C9 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR

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
CN-119684785-A Polyamide resin composition 旭化成株式会社 2025-03-25 CN disclosed
CN-119684786-A Polyamide resin composition 旭化成株式会社 2025-03-25 CN disclosed
CN-110804399-A Polyurethane structure adhesive film for soft connection of edges of cabin solidified at room temperature and preparation method thereof 黑龙江省科学院石油化学研究院 2020-02-18 CN disclosed