SCHEMBL11566967

SCHEMBL11566967

C[C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)F)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PDK1 Q15118 2/20 0.46
PDK2 Q15119 2/20 0.46
PDK3 Q15120 2/20 0.46
PDK4 Q16654 2/20 0.46
HSP90AA1 P07900 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
NR3C1 P04150 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL11567116 0.81 KMT2A (0.48) MAPTALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5079344 0.80 CALCRL (0.44) RAB9ASMN1; SMN2NPC1
SCHEMBL30169785 0.79 MLYCD (0.46) MAPTMEN1KMT2APDK1PDK2
SCHEMBL29221550 0.79 MLYCD (0.46) MAPTMEN1KMT2APDK1PDK2
SCHEMBL29980048 0.78 PGR (0.56) MAPTALDH1A1MEN1KMT2APDK1
SCHEMBL21626142 0.78 MAPT (0.54) MAPTALDH1A1MEN1KMT2ARXFP1
SCHEMBL9222065 0.77 HSD17B10 (0.59) MAPTALDH1A1MEN1KMT2ARXFP1
SCHEMBL10721870 0.77 MME (0.42) LMNARAB9ASMN1; SMN2MMEACE
Bromide SCHEMBL11428373 0.76 TAAR1 (0.61) MAPTALDH1A1MEN1KMT2ARXFP1
SCHEMBL9723348 0.75 CASP3 (0.46) MAPTMEN1KMT2APDK1PDK2

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
US-4153688-A N-TRIFLUOROACETYL-ALANYL OR LYSYL-ALANYL OR LYSYL-ANILIDE, REVERSIBLE ELASTASE ENZYME INHIBITORS DELALANDE S.A. (FR) 1979-05-08 US disclosed