SCHEMBL8915854

SCHEMBL8915854

CCCCCCCCCCCCCC(=O)O[C@@]12[C@H](OC(=O)CCCCCCCCCCCC(C)CC(=O)O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@H]1C2(C)C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.79
PRKCG P05129 5/20 0.78
PRKCB P05771 5/20 0.78
PRKCH P24723 5/20 0.78
PRKCE Q02156 5/20 0.78
PRKCQ Q04759 5/20 0.78
PRKCD Q05655 5/20 0.78
PRKD3 O94806 4/20 0.78
PRKCI P41743 4/20 0.78
PRKCZ Q05513 4/20 0.78
PRKD1 Q15139 4/20 0.78
USP2 O75604 2/20 0.78
TP53 P04637 2/20 0.78
KDM4E B2RXH2 1/20 0.78
ALDH1A1 P00352 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
NFKB1 P19838 1/20 0.78

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
SCHEMBL29353576 0.92 PRKCA (0.94) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL295345 0.92 PRKCA (0.94) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL3211990 0.92 PRKCA (0.94) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL1568997 0.92 PRKCA (0.94) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL29706042 0.92 PRKCA (0.94) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL8365006 0.91 PRKCA (0.73) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL18399995 0.91 PRKCA (0.95) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL2411275 0.91 PRKCA (0.95) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL1954021 0.90 PRKCA (0.65) PRKCAPRKCGPRKCBPRKCHPRKCE
SCHEMBL3708285 0.88 PRKCA (0.85) PRKCAPRKCGPRKCBPRKCHPRKCE

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
US-5663157-A 22-en-25-oxa derivatives in the vitamin D series, process for their production, pharmaceutical preparations containing these derivatives as well as their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
US-5532228-A ANTITUMOR, PSORIASIS SCHERING AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed