SCHEMBL7936345

SCHEMBL7936345

CC(C)=CC1C(c2c(C(C)(C)C)cc(C)cc2C(C)(C)C)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
ALOX15 P16050 1/20 0.36
HSPA5 P11021 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL294972 0.72 LMNA (0.50) CYP2C9CYP2C19LMNA
SCHEMBL1579393 0.62 ALOX15 (0.54) ALOX15CYP2C19LMNA
Butylated Hydroxytoluene SCHEMBL28263247 0.59 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL453824 0.58 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL3950 0.58 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7942358 0.58 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL18050603 0.58 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL23544061 0.58 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17865246 0.58 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7047479 0.57 ALDH1A1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120402-A2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 EP disclosed