SCHEMBL7325542

SCHEMBL7325542

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C=Cc1ccc(N(C)C)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HSD17B3 P37058 1/20 0.43
MMP13 P45452 3/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MMP8 P22894 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL9724536 0.88 TDP1 (0.51) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL7316571 0.81 MMP2 (0.44) KMT2ASMN1; SMN2MAPTMEN1GAA
SCHEMBL7326943 0.81 MMP2 (0.44) KMT2ASMN1; SMN2MAPTMEN1GAA
SCHEMBL7326842 0.81 MMP2 (0.44) KMT2ASMN1; SMN2MAPTMEN1GAA
Trifluoroacetic Acid SCHEMBL7326606 0.81 HTRA1 (0.43) KMT2ASMN1; SMN2MEN1NOS3NOS1
Trifluoroacetic Acid SCHEMBL7330375 0.78 HTRA1 (0.41) KMT2AMEN1NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL7317296 0.77 MMP2 (0.42) KMT2AMEN1NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL7321835 0.77 MMP2 (0.42) KMT2AMEN1NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL7324511 0.77 MMP2 (0.42) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL17200222 0.76 SMN1; SMN2 (0.66) HDAC1HSD17B3MMP13HDAC3HDAC4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP claimed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP claimed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO claimed
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP disclosed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP disclosed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO disclosed