SCHEMBL631287

SCHEMBL631287

C=C(C)c1ccc(N2CCN(CC(=O)OOOC(C)=O)C(CC)C2)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
LMNA P02545 1/20 0.31
PAX8 Q06710 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
SCHEMBL630911 0.88 RBP4 (0.35) RBP4MEN1KMT2AMAPTLMNA
SCHEMBL630560 0.87 SLC6A9 (0.36) RBP4KMT2AMAPTALDH1A1LMNA
SCHEMBL631571 0.87 RBP4 (0.48) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL630684 0.86 RBP4 (0.34) RBP4MAPT
SCHEMBL631926 0.85 RBP4 (0.34) RBP4MAPT
SCHEMBL766232 0.77 RBP4 (0.40) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL3721739 0.69 RBP4 (0.31) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL631288 0.68 PKM (0.50) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL766210 0.67 RBP4 (0.61) RBP4MEN1KMT2AALDH1A1RARA
SCHEMBL631983 0.66 RBP4 (0.46) RBP4

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
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed