SCHEMBL28113513

SCHEMBL28113513

CCC(C)(C)c1cc(F)ccc1P

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.33
IDO1 P14902 2/20 0.33
NR3C2 P08235 7/20 0.32
NR3C1 P04150 12/20 0.32
KDM4E B2RXH2 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
SCHEMBL27908446 0.85 SLC6A2 (0.33) RIPK1IDO1NR3C2NR3C1
SCHEMBL19413082 0.80 RIPK1 (0.41) RIPK1IDO1NR3C2NR3C1
SCHEMBL28113469 0.77 CHRNB2 (0.35)
SCHEMBL23964558 0.77 NR3C1 (0.43) RIPK1NR3C2NR3C1
SCHEMBL17552743 0.76 RIPK1 (0.41) RIPK1IDO1NR3C2KDM4E
SCHEMBL27409142 0.74 IDO1 (0.41) RIPK1IDO1NR3C2NR3C1
SCHEMBL17378840 0.73 CA3 (0.43) RIPK1NR3C2NR3C1KDM4E
SCHEMBL19354831 0.73 NR3C1 (0.36) RIPK1NR3C2NR3C1
SCHEMBL22023841 0.73 NPSR1 (0.47) NR3C2NR3C1
SCHEMBL22043372 0.69 AR (0.40) NR3C2NR3C1

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
CN-102947319-B Method and tertiary phosphine for phosphine oxides is reduced into corresponding tertiary phosphine in the presence of a catalyst is used for reducing in the presence of a catalyst the purposes of phosphine oxides 克罗马福拉公司 2016-11-09 CN disclosed