SCHEMBL13667489

SCHEMBL13667489

C[C@@]1(OCc2ccccc2)C[C@@H](COCc2ccccc2)OC1(O)c1ccc2c(N)ncnn12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 10/20 0.38
▸ HSPA5 P11021 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ INSR P06213 2/20 0.31
▸ IGF1R P08069 2/20 0.31
▸ RIPK1 Q13546 1/20 0.31

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
SCHEMBL12068855 0.86 TAAR1 (0.32) HSPA5TAAR1
SCHEMBL19088037 0.80 HSPA5 (0.36) TNK2HSPA5RIPK1
SCHEMBL10082719 0.80 HSPA5 (0.36) TNK2HSPA5RIPK1
SCHEMBL12393393 0.80 HSPA5 (0.36) TNK2HSPA5RIPK1
SCHEMBL18666854 0.79 TNK2 (0.35) TNK2HSPA5TAAR1
SCHEMBL14052168 0.79 TNK2 (0.35) TNK2HSPA5TAAR1
SCHEMBL18667233 0.79 TNK2 (0.35) TNK2HSPA5TAAR1
SCHEMBL12294892 0.79 TNK2 (0.35) TNK2HSPA5TAAR1
SCHEMBL18666910 0.79 TNK2 (0.35) TNK2HSPA5TAAR1
SCHEMBL18636665 0.79 TNK2 (0.35) TNK2HSPA5TAAR1RIPK1

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
WO-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — WO disclosed
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