SCHEMBL28057007

SCHEMBL28057007

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.82
▸ ATM Q13315 2/20 0.82
▸ MEN1 O00255 1/20 0.79
▸ MAPK1 P28482 1/20 0.61
▸ LMNA P02545 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ACE P12821 1/20 0.53
▸ CTSS P25774 2/20 0.49
▸ ACACB O00763 2/20 0.49
▸ ACACA Q13085 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL388984 1.00 KMT2A (0.82) KMT2AATMMEN1MAPK1LMNA
SCHEMBL388983 1.00 KMT2A (0.82) KMT2AATMMEN1MAPK1LMNA
Dimethylamine SCHEMBL10425391 0.98 KMT2A (0.79) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16604417 0.92 KMT2A (0.70) KMT2AATMMEN1MAPK1LMNA
SCHEMBL25964562 0.92 KMT2A (0.70) KMT2AATMMEN1MAPK1LMNA
Aminobenzoic Acid SCHEMBL7274588 0.91 KMT2A (0.70) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16604445 0.91 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16609114 0.91 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
SCHEMBL7275174 0.91 KMT2A (0.72) KMT2AATMMEN1MAPK1LMNA
SCHEMBL17961971 0.91 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA

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-105745192-A Substituted phenylalanine derivatives 拜耳制药股份公司 2016-07-06 — — CN disclosed
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