SCHEMBL7337296

SCHEMBL7337296

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 4/20 0.58
HSPA2 P54652 2/20 0.58
HSPA1A P0DMV8 1/20 0.58
HSPA9 P38646 1/20 0.58
PKM P14618 1/20 0.49
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
LMNA P02545 1/20 0.48
XBP1 P17861 1/20 0.48
PSMB11 A5LHX3 1/20 0.48
PSMA7 O14818 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMA1 P25786 1/20 0.48
PSMA2 P25787 1/20 0.48
PSMA3 P25788 1/20 0.48

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
SCHEMBL7341107 0.84 PSMB11 (0.61) HSPA5HSPA2HSPA1AHSPA9PSMB11
SCHEMBL7344263 0.82 MEN1 (0.55) IL1RNERAP2ERAP1MMEACE
SCHEMBL7344077 0.82 PPARG (0.60) IL1RNERAP2ERAP1MMEACE
SCHEMBL7336536 0.82 LTA4H (0.59) IL1RNERAP2ERAP1MMEACE
SCHEMBL7345070 0.82 HDAC8 (0.60) IL1RNERAP2ERAP1HDAC6NPC1
SCHEMBL7348742 0.82 LTA4H (0.59) IL1RNERAP2ERAP1MMEACE
SCHEMBL7337295 0.81 HSPA5 (0.54) HSPA5HSPA2HSPA1AHSPA9PKM
SCHEMBL7337028 0.81 PSMB1 (0.58) IL1RNERAP2ERAP1MMEACE
SCHEMBL7338318 0.81 IL1RN (0.56) IL1RNERAP2ERAP1MMEACE
SCHEMBL7342789 0.81 LTA4H (0.58) IL1RNERAP2ERAP1MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed