SCHEMBL7928103

SCHEMBL7928103

C[AlH]Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA2 P00918 1/20 0.46
POLB P06746 1/20 0.46
TYR P14679 1/20 0.46
HSPA5 P11021 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28649071 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4659932 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
Methyl Alcohol SCHEMBL22712568 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL22712584 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL5857102 0.79 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30503396 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11647740 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2POLBTYR
Isopropyl Alcohol SCHEMBL22712571 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
Alcohol SCHEMBL22712576 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL22129151 0.76 SMN1; SMN2 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125928-A9 TRANSITION METAL COMPOUNDS, CATALYSTS FOR THE PRODUCTION OF ALPHA-OLEFINS AND PROCESS THEREFOR IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-11-14 EP disclosed
EP-1125928-A1 TRANSITION METAL COMPOUNDS, CATALYSTS FOR THE PRODUCTION OF ALPHA-OLEFINS AND PROCESS THEREFOR IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-08-22 EP disclosed