SCHEMBL7348677

SCHEMBL7348677

CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 1/20 0.58
ERAP2 Q6P179 1/20 0.58
ERAP1 Q9NZ08 1/20 0.58
REN P00797 2/20 0.55
CTSK P43235 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CTSL P07711 1/20 0.53
PTPN1 P18031 1/20 0.52
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
YAP1 P46937 2/20 0.51
BCL2 P10415 1/20 0.50
CTSS P25774 1/20 0.50
PPARG P37231 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
SCHEMBL7348670 1.00 IL1RN (0.58) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7346373 0.93 IL1RN (0.59) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7346379 0.93 IL1RN (0.59) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7340660 0.91 IL1RN (0.57) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7340654 0.91 IL1RN (0.57) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7344241 0.91 IL1RN (0.56) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7344233 0.91 IL1RN (0.56) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7345719 0.91 CTSK (0.58) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7339514 0.91 IL1RN (0.63) IL1RNERAP2ERAP1RENCTSK
SCHEMBL7337389 0.91 IL1RN (0.56) IL1RNERAP2ERAP1RENCTSK

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