SCHEMBL7348165

SCHEMBL7348165

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.47
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP9 P14780 2/20 0.46
MMP8 P22894 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP14 P50281 1/20 0.45
PTPN1 P18031 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 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
SCHEMBL7337924 0.91 YAP1 (0.56) YAP1IL1RNERAP2ERAP1MME
SCHEMBL7342359 0.89 YAP1 (0.55) YAP1IL1RNERAP2ERAP1MME
SCHEMBL7341349 0.85 EZH2 (0.55) YAP1IL1RNERAP2ERAP1MME
SCHEMBL7337458 0.85 YAP1 (0.52) YAP1IL1RNERAP2ERAP1MME
SCHEMBL7337669 0.85 CACNA1B (0.58) YAP1PSMB1PSMB9PSMB5PSMB10
SCHEMBL7345278 0.83 UTS2R (0.57)
SCHEMBL7338585 0.83 UTS2R (0.57)
SCHEMBL7342587 0.83 YAP1 (0.51) YAP1IL1RNERAP2ERAP1MME
SCHEMBL7341587 0.82 YAP1 (0.57) YAP1IL1RNERAP2ERAP1MME
SCHEMBL7348163 0.82 PPARG (0.45) YAP1MMEACECPA1ACE2

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