SCHEMBL8977017

SCHEMBL8977017

Cc1cc(C(C)(C)C)c(OP2N(C(C)(C)C)P(Oc3c(C(C)(C)C)cc(C)cc3C(C)(C)C)N2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
HSPA5 P11021 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL8976796 0.85 GABRA1 (0.30)
SCHEMBL8976855 0.75 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10789897 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10904840 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11647740 0.71 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL28412493 0.70 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL5857102 0.69 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10567279 0.68 CYP3A4 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL2868169 0.67 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL21500784 0.67 SMN1; SMN2 (0.50) 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-5534646-A OXIDATION RESISTANCE FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed