SCHEMBL19344745

SCHEMBL19344745

CC(=O)OC1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)C3(O)CC(CO)=C[C@H]2[C@H]2C(C)(C)[C@]12OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 5/20 0.79
▸ PRKD3 O94806 4/20 0.79
▸ PRKCG P05129 4/20 0.79
▸ PRKCB P05771 4/20 0.79
▸ PRKCH P24723 4/20 0.79
▸ PRKCI P41743 4/20 0.79
▸ PRKCE Q02156 4/20 0.79
▸ PRKCQ Q04759 4/20 0.79
▸ PRKCZ Q05513 4/20 0.79
▸ PRKCD Q05655 4/20 0.79
▸ PRKD1 Q15139 4/20 0.79
▸ USP2 O75604 2/20 0.79
▸ TP53 P04637 2/20 0.79
▸ KDM4E B2RXH2 1/20 0.79
▸ ALDH1A1 P00352 1/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ CYP3A4 P08684 1/20 0.79
▸ CYP2C9 P11712 1/20 0.79
▸ TSHR P16473 1/20 0.79
▸ NFKB1 P19838 1/20 0.79

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
SCHEMBL1537765 1.00 PRKCA (0.79) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL29762786 1.00 PRKCA (0.79) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL19276411 0.94 PRKCA (0.76) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL19331474 0.94 PRKCA (0.71) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL12924974 0.93 PRKCA (0.74) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL12925019 0.93 PRKCA (0.74) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL12950479 0.93 PRKCA (0.74) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL15423127 0.92 PTGS2 (0.70) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL18687212 0.92 PTGS2 (0.70) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL18680592 0.92 PTGS2 (0.70) PRKCAPRKD3PRKCGPRKCBPRKCH

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-2017156350-A1 METHODS OF CANCER TREATMENT K-GEN, INC. (US) 2017-09-14 — — WO disclosed
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