SCHEMBL1832023

SCHEMBL1832023

CC(C)c1cccc(C(=O)O)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 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
SCHEMBL5674040 0.89 IRAK4 (0.44) LMNAHPGDFAAHCA1CA2
SCHEMBL1356418 0.87 FABP3 (0.47) LMNAHPGDFAAHCA1CA2
SCHEMBL27460996 0.86 FABP3 (0.43) LMNAHPGDFAAHCA1CA2
SCHEMBL343203 0.85 FABP3 (0.46) LMNAHPGDFAAHCA1CA2
SCHEMBL1275261 0.85 GABRA1 (0.50) LMNAHPGDFAAHCA1CA2
Isopropyl Alcohol SCHEMBL8992570 0.84 FABP3 (0.44) LMNAHPGDFAAHCA1CA2
SCHEMBL19283592 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AALOX15MYCKDM4E
SCHEMBL3244675 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AALOX15MYCKDM4E
SCHEMBL1854603 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AALOX15MYCKDM4E
SCHEMBL27562387 0.83 ALOX15 (0.39) LMNAHPGDTSHRALDH1A1KMT2A

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
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
CN-1068584-C Phthalic acid diamide derivatives, agricultural and horticultural insecticides, and method for application of insecticides NIHON NOHYAKU CO LTD (JP) 2001-07-18 CN disclosed