SCHEMBL9088587

SCHEMBL9088587

CC(C)CC(NC(=O)NC(C)C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
LMNA P02545 2/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
FOLH1 Q04609 9/20 0.68
MAPT P10636 1/20 0.67
NAALAD2 Q9Y3Q0 3/20 0.64
FPR2 P25090 3/20 0.53
LAP3 P28838 1/20 0.50

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
SCHEMBL28214706 0.94 ALDH1A1 (0.88) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL24939480 0.83 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL17241614 0.81 FOLH1 (1.00) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL9965337 0.81 FOLH1 (1.00) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL19611501 0.81 FOLH1 (1.00) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL26669597 0.81 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL17190634 0.81 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL15302480 0.80 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL13838843 0.80 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL28824274 0.80 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2AFOLH1

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-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed