SCHEMBL5696285

SCHEMBL5696285

Cc1cccc(C(C)(C)C)c1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 2/20 0.49
CD69 Q07108 4/20 0.47
NLRP3 Q96P20 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ELANE P08246 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL28378641 0.90 KMT2A (0.55) KMT2ACD69PTGDR2SMN1; SMN2ELANE
SCHEMBL830740 0.84 KMT2A (0.60) ALDH1A1KMT2ACD69SMN1; SMN2KDM4E
SCHEMBL321504 0.78 L3MBTL1 (0.56) ALDH1A1KMT2ACD69PTGDR2SMN1; SMN2
SCHEMBL28044483 0.78 KMT2A (0.53) ALDH1A1KMT2ACD69PTGDR2SMN1; SMN2
SCHEMBL11333666 0.77 ALDH1A1 (0.60) ALDH1A1GAANLRP3SMN1; SMN2KDM4E
SCHEMBL20509554 0.77 ALDH1A1 (0.60) ALDH1A1KMT2ACD69PTGDR2SMN1; SMN2
SCHEMBL1887188 0.77 KMT2A (0.77) GAAKMT2ACD69PTGDR2KDM4E
SCHEMBL27090170 0.77 NAMPT (0.71) ALDH1A1KMT2ASMN1; SMN2KDM4ENPSR1
SCHEMBL6743332 0.75 POLB (0.62) ALDH1A1KMT2ACD69PTGDR2SMN1; SMN2
SCHEMBL16479215 0.75 ALDH1A1 (0.61) ALDH1A1GAANLRP3SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054052-B1 Stabilized hydrotreated and hydrodewaxed lubricant compositions CIBA SC HOLDING AG (CH) 2006-06-28 EP claimed
US-6410490-B1 OIL ADDITIVE MIXTURE CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-25 US claimed
EP-1054052-A2 Stabilized hydrotreated and hydrodewaxed lubricant compositions Ciba SC Holding AG (CH) 2000-11-22 EP claimed
EP-1054052-B1 Stabilized hydrotreated and hydrodewaxed lubricant compositions CIBA SC HOLDING AG (CH) 2006-06-28 EP disclosed
US-6410490-B1 OIL ADDITIVE MIXTURE CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-25 US disclosed
EP-1054052-A2 Stabilized hydrotreated and hydrodewaxed lubricant compositions Ciba SC Holding AG (CH) 2000-11-22 EP disclosed