SCHEMBL10948993

SCHEMBL10948993

CCCCCCC(C)(C)C(=O)OC1=C(c2ccc(C)cc2)C(=O)CC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.34
▸ CNR1 P21554 7/20 0.34
▸ ELANE P08246 2/20 0.34
▸ MGAT2 Q10469 5/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32

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
SCHEMBL10948779 0.91 LMNA (0.37) ELANENPSR1ALDH1A1MAPTHPGD
SCHEMBL10945217 0.83 KMT2A (0.40) MGAT2NPSR1ALDH1A1MAPTHPGD
SCHEMBL10946309 0.83 KMT2A (0.40) MGAT2NPSR1ALDH1A1MAPTHPGD
SCHEMBL10948746 0.83 KMT2A (0.40) MGAT2NPSR1ALDH1A1MAPTHPGD
SCHEMBL10950107 0.81 CNR2 (0.38) CNR2CNR1ELANENPSR1MAPT
SCHEMBL10947331 0.81 KMT2A (0.38) MGAT2NPSR1ALDH1A1MAPTHPGD
SCHEMBL10947941 0.78 GAA (0.41) NPSR1ALDH1A1MAPTHPGDKMT2A
SCHEMBL10951017 0.74 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKMT2A
SCHEMBL10946604 0.73 GAA (0.39) NPSR1ALDH1A1HPGDKMT2A
SCHEMBL10942813 0.73 KMT2A (0.40) NPSR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
Send feedback