SCHEMBL5869768

SCHEMBL5869768

Cc1ccc(-c2nc(CCN(CC(=O)O)C(CC(C)C)C(=O)O)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
TP53 P04637 5/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8256609 1.00 LMNA (0.43) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL8249703 0.81 RAB9A (0.45) TP53MAPTSMN1; SMN2PPARAKDM4E
SCHEMBL5870149 0.81 RAB9A (0.45) TP53MAPTSMN1; SMN2PPARAKDM4E
SCHEMBL7426729 0.77 TP53 (0.39) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL1655299 0.76 ATM (0.46) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL7425245 0.75 HSD17B10 (0.39) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL7417878 0.73 RAB9A (0.46) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL7419304 0.73 SMN1; SMN2 (0.47) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL5870039 0.73 DRD2 (0.42)
SCHEMBL5869659 0.72 ALDH1A1 (0.46) LMNATP53MAPTALDH1A1SMN1; SMN2

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed