SCHEMBL29463589

SCHEMBL29463589

Cc1cc(C(C)c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.65
CA2 P00918 4/20 0.65
ALDH1A1 P00352 3/20 0.65
POLB P06746 1/20 0.65
TYR P14679 1/20 0.65
HSPA5 P11021 1/20 0.53
CYP2C9 P11712 5/20 0.52
CYP2C19 P33261 5/20 0.52
HIF1A Q16665 3/20 0.52
CYP2D6 P10635 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 2/20 0.45
CYP1A2 P05177 4/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
HPN P05981 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
GLRA3 O75311 1/20 0.38

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
SCHEMBL225440 1.00 SMN1; SMN2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL14410161 0.93 SMN1; SMN2 (0.57) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL13933966 0.93 SMN1; SMN2 (0.57) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL14016137 0.93 CA2 (0.57) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL30467046 0.88 CA2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL56222 0.88 CA2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL10783483 0.88 SMN1; SMN2 (0.60) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL11330818 0.86 SMN1; SMN2 (0.63) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL13988979 0.86 SMN1; SMN2 (0.49) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL17438141 0.86 SMN1; SMN2 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114231214-A Interlayer film for laminated glass and laminated glass 积水化学工业株式会社 2022-03-25 CN disclosed