SCHEMBL15947340

SCHEMBL15947340

C=C(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
EGFR P00533 1/20 0.44
TACR1 P25103 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PTGS2 P35354 2/20 0.42
FOLH1 Q04609 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL23859822 0.89 NPSR1 (0.56) KMT2ANPSR1TSHRLNPEPMDM4
SCHEMBL23859819 0.89 NPSR1 (0.56) KMT2ANPSR1TSHRLNPEPMDM4
SCHEMBL8980296 0.88 TACR1 (0.54) EGFRTACR1MMP8
SCHEMBL22352567 0.88 TACR1 (0.54) EGFRTACR1MMP8
Acetyl Tyrosine Ethyl Ester SCHEMBL468756 0.86 TACR1 (0.58) BACE1KMT2ANPSR1TSHRLNPEP
Acetyl Tyrosine Ethyl Ester SCHEMBL14370511 0.86 TACR1 (0.58) BACE1KMT2ANPSR1TSHRLNPEP
Acetyl Tyrosine Ethyl Ester SCHEMBL468858 0.86 TACR1 (0.58) BACE1KMT2ANPSR1TSHRLNPEP
SCHEMBL12608357 0.86 LCK (0.53) KMT2AEGFRTACR1ESR1PTGS2
Acetyl Tyrosine Ethyl Ester SCHEMBL25257912 0.85 TACR1 (0.56) BACE1KMT2ANPSR1TSHRLNPEP
Acetyl Tyrosine Ethyl Ester SCHEMBL38655891 0.85 TACR1 (0.56) BACE1KMT2ANPSR1TSHRLNPEP

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-9188893-B2 Toner for developing electrostatic image Konica Minolta, Inc. (JP) 2015-11-17 US disclosed
US-20140228532-A1 TONER FOR DEVELOPING ELECTROSTATIC IMAGE Konica Minolta, Inc. (JP) 2014-08-14 US disclosed