SCHEMBL28845858

SCHEMBL28845858

C=CC(=O)Oc1c(C(C)(C)C)cc(O)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 13/20 0.41
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 2/20 0.36
GAA P10253 1/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26078833 0.86 ALDH1A1 (0.42) VCAM1ALDH1A1TYRSMN1; SMN2
SCHEMBL1108013 0.86 RXRA (0.39) VCAM1THRB
SCHEMBL30923508 0.81 CA2 (0.41) ALDH1A1THRB
SCHEMBL11800915 0.79 ALDH1A1 (0.44) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL10765003 0.79 ALDH1A1 (0.39) VCAM1ALDH1A1TYRTHRBSMN1; SMN2
SCHEMBL6308031 0.78 CYP3A4 (0.44) VCAM1ALDH1A1ALOX15NR1I2LMNA
SCHEMBL7168327 0.77 CA2 (0.53) VCAM1ALDH1A1ALOX15TYRHTT
SCHEMBL9242528 0.77 GAA (0.40) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL23142712 0.76 SMN1; SMN2 (0.45) VCAM1ALDH1A1CYP2C9TYRHSD17B10
SCHEMBL29472038 0.76 SMN1; SMN2 (0.45) VCAM1ALDH1A1CYP2C9TYRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115074168-A Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-09-20 CN claimed
CN-115992023-B Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2024-08-09 CN disclosed
CN-115992022-B Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2024-08-09 CN disclosed
CN-115074168-B Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2023-06-09 CN disclosed
CN-115074172-B Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2023-06-09 CN disclosed
CN-115992023-A Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2023-04-21 CN disclosed
CN-115992022-A Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2023-04-21 CN disclosed
CN-115074172-A Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-09-20 CN disclosed
CN-115074168-A Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-09-20 CN disclosed