SCHEMBL7338808

SCHEMBL7338808

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCN(C)C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.45
IL1RN P18510 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
ACE P12821 3/20 0.43
MME P08473 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CACNA1B Q00975 1/20 0.42

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
SCHEMBL7338801 0.84 YAP1 (0.43) YAP1ACEMMECPA1ACE2
SCHEMBL7342359 0.83 YAP1 (0.55) YAP1IL1RNERAP2ERAP1CASP1
SCHEMBL7339727 0.83 IL1RN (0.48) YAP1IL1RNERAP2ERAP1CASP1
SCHEMBL7337924 0.83 YAP1 (0.56) YAP1IL1RNERAP2ERAP1CASP1
SCHEMBL7344333 0.82 SLC2A1 (0.50) YAP1IL1RNERAP2ERAP1LMNA
SCHEMBL7342587 0.81 YAP1 (0.51) YAP1IL1RNERAP2ERAP1ACE
SCHEMBL7337109 0.81 YAP1 (0.49) YAP1IL1RNERAP2ERAP1ACE
SCHEMBL7338585 0.79 UTS2R (0.57) LMNAGAARAB9ASMN1; SMN2
SCHEMBL7345278 0.79 UTS2R (0.57) LMNAGAARAB9ASMN1; SMN2
SCHEMBL7345872 0.78 CTSS (0.55) IL1RNERAP2ERAP1

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