SCHEMBL8172012

SCHEMBL8172012

CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ANPEP P15144 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
TERT O14746 1/20 0.45

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
SCHEMBL4747242 1.00 MEN1 (0.56) MEN1KMT2AGAAPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL8614402 0.98 MEN1 (0.55) MEN1KMT2AGAAPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL8614398 0.98 MEN1 (0.55) MEN1KMT2AGAAPKMSMN1; SMN2
SCHEMBL3668459 0.88 CA1 (0.47) MEN1KMT2AANPEPCA1CA2
SCHEMBL3239995 0.87 HPGD (0.54) MEN1KMT2AGAAHPGDTSHR
SCHEMBL4747248 0.87 CYP2C9 (0.53) MEN1KMT2ASMN1; SMN2HPGDTSHR
SCHEMBL8164760 0.87 CYP2C9 (0.53) MEN1KMT2ASMN1; SMN2HPGDTSHR
SCHEMBL7955857 0.87 HPGD (0.54) MEN1KMT2AGAAHPGDTSHR
SCHEMBL7432155 0.86 ANPEP (0.57) MEN1KMT2AGAAALDH1A1ANPEP
SCHEMBL8155147 0.86 ANPEP (0.57) MEN1KMT2AGAAALDH1A1ANPEP

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
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed