SCHEMBL10514501

SCHEMBL10514501

CC(C)(C)OC(=O)N1[C@@H](OC(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
KLK7 P49862 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CTSL P07711 1/20 0.39
AGTR2 P50052 1/20 0.39
HTR2C P28335 1/20 0.39
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
ACE P12821 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STS P08842 1/20 0.37
TSHR P16473 1/20 0.37
CPB1 P15086 1/20 0.37

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
SCHEMBL9356920 0.89 HTR2C (0.46) KMT2AAGTR2HTR2CCYP3A4ACE
SCHEMBL9327739 0.85 CTSL (0.49) KMT2AL3MBTL1KLK7JAK2CTSL
SCHEMBL9356665 0.84 HTR2C (0.46) KMT2AAGTR2HTR2CHTTCYP3A4
SCHEMBL10514141 0.84 HTR2C (0.46) KMT2AAGTR2HTR2CHTTCYP3A4
SCHEMBL629532 0.83 FKBP1A (0.46) KMT2AL3MBTL1KLK7JAK2JAK1
SCHEMBL12684557 0.83 FKBP1A (0.46) KMT2AL3MBTL1KLK7JAK2JAK1
SCHEMBL15457809 0.83 FKBP1A (0.46) KMT2AL3MBTL1KLK7JAK2JAK1
SCHEMBL10607382 0.83 CTSL (0.49) KMT2AKLK7JAK2CTSLCYP3A4
SCHEMBL10788524 0.81 DPP4 (0.39) KMT2AHTR2CCYP3A4ACEALOX15
SCHEMBL10437288 0.81 ACE (0.41) KMT2AL3MBTL1CYP3A4ACEALOX15

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-0320753-A2 Derivatives of cyclic aminoacids, their preparation, compounds containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-21 EP disclosed