SCHEMBL8897791

SCHEMBL8897791

CC(C)C[C@H](NC(=O)N[C@H](C(=O)N(C)C)C(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
FOLH1 Q04609 10/20 0.54
MAPT P10636 1/20 0.53
NAALAD2 Q9Y3Q0 3/20 0.50
FPR2 P25090 3/20 0.43

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 0.81 ALDH1A1 (0.88) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL9088587 0.76 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL8612042 0.73 FOLH1 (0.52) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL8612045 0.73 FOLH1 (0.52) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL24939480 0.72 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL2969312 0.72 MMP9 (0.35) ALDH1A1LMNAMEN1KMT2A
SCHEMBL15228983 0.72 MMP9 (0.35) ALDH1A1LMNAMEN1KMT2A
SCHEMBL9965337 0.70 FOLH1 (1.00) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL17241614 0.70 FOLH1 (1.00) ALDH1A1LMNAMEN1KMT2AFOLH1
SCHEMBL23901487 0.70 ALDH1A1 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6025286-A None JP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
JP-H0625286-A PEPTIDE COMPOUND FUJISAWA PHARMACEUT CO LTD 1994-02-01 JP disclosed
JP-H00625286-A 0001-01-01 JP disclosed