SCHEMBL7338671

SCHEMBL7338671

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CO)C(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 1/20 0.53
ERAP2 Q6P179 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
REN P00797 2/20 0.51
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
PTPN1 P18031 1/20 0.47
LTA4H P09960 2/20 0.46
PSMB1 P20618 2/20 0.45
PSMB5 P28074 2/20 0.45
PSMB2 P49721 2/20 0.45
NPY5R Q15761 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
PPARG P37231 1/20 0.44
MMP1 P03956 1/20 0.44

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
SCHEMBL7338054 0.91 IL1RN (0.53) IL1RNERAP2ERAP1RENMME
SCHEMBL7345226 0.87 IL1RN (0.55) IL1RNERAP2ERAP1RENMME
SCHEMBL7335837 0.84 MME (0.56) IL1RNERAP2ERAP1RENMME
SCHEMBL7339719 0.84 CACNA1B (0.55) IL1RNERAP2ERAP1RENPTPN1
SCHEMBL7338318 0.84 IL1RN (0.56) IL1RNERAP2ERAP1RENMME
SCHEMBL7339965 0.84 IL1RN (0.52) IL1RNERAP2ERAP1RENMME
SCHEMBL7338162 0.83 MME (0.56) IL1RNERAP2ERAP1RENMME
SCHEMBL7346128 0.83 MME (0.58) IL1RNERAP2ERAP1RENMME
SCHEMBL7344077 0.83 PPARG (0.60) IL1RNERAP2ERAP1MMEACE
SCHEMBL7341943 0.82 CTSS (0.53) IL1RNERAP2ERAP1RENMME

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