SCHEMBL5199178

SCHEMBL5199178

Cc1cc(C)cc(CC(=O)C(C(=O)O)C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.36
SLC7A5 Q01650 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPK8 P45983 1/20 0.33
PTGS2 P35354 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
TACR1 P25103 1/20 0.32
TSPO P30536 1/20 0.32
CTBP2 P56545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
EPHX1 P07099 1/20 0.31
APEX1 P27695 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL6302799 0.81 CA12 (0.38) KMT2ATACR1TSPOHTTNPSR1
SCHEMBL10137772 0.79 TPMT (0.38) TPMTKMT2AMAPK8PGK1PGK2
SCHEMBL7758062 0.78 TSHR (0.50) SLC7A5KMT2AMEN1
SCHEMBL593771 0.72 TPMT (0.48) TPMTPGK1PGK2HTTAPEX1
Hydrochloric Acid SCHEMBL2529215 0.70 TPMT (0.46) TPMTKMT2APGK1PGK2HTT
SCHEMBL12205412 0.69 TPMT (0.44) TPMTKMT2AMAPK8PGK1PGK2
Acetic Acid SCHEMBL28420889 0.69 TPMT (0.44) TPMTKMT2ATSPOAPEX1MEN1
SCHEMBL1286171 0.68 AKR1B1 (0.48) TPMTPGK1PGK2HTTAPEX1
SCHEMBL1257778 0.68 TPMT (0.42) TPMTKMT2AMAPK8PGK1PGK2
SCHEMBL10865907 0.68 TPMT (0.42) TPMTSLC7A5KMT2AMAPK8PGK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355887-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIV GENEVE (CH) 2007-08-15 EP disclosed
EP-1355887-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2003-10-29 EP disclosed
WO-2002060880-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2002-08-08 WO disclosed