SCHEMBL8927442

SCHEMBL8927442

Cc1cc(C(C)(C)C)c(C(C)(OP(O)O)C(CO)(CO)COP(O)O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
HSPA5 P11021 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 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
SCHEMBL192003 0.86 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8927034 0.79
SCHEMBL4201014 0.79 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10715344 0.76 USP2 (0.32) ALDH1A1POLB
SCHEMBL3280462 0.76 NR5A2 (0.30)
SCHEMBL373554 0.74 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL9323473 0.74 HSPA5 (0.35) ALDH1A1HSPA5CYP2C9CYP2C19HIF1A
SCHEMBL29353402 0.73 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29445825 0.73 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29865276 0.73 SMN1; SMN2 (0.39) 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
US-5670284-A HAVING CHARGE GENERATING LAYER COMPRISING POLYALKYLENE GLYCOL AND/OR ESTER OR ETHER THEREOF AND/OR CROWN ETHER, CHARGE TRANSPORT LAYER COMPRISING ANTIOXIDANT RICOH COMPANY, LTD. (JP) 1997-09-23 US disclosed