SCHEMBL28126151

SCHEMBL28126151

CCCCCCCCCCCCCCCCCCC(O)CC(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.51
GPR84 Q9NQS5 4/20 0.47
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 3/20 0.41
CYP3A4 P08684 4/20 0.40
CYP2C8 P10632 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP2C19 P33261 3/20 0.40
HTR1A P08908 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2E1 P05181 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL28220383 0.89 VCAM1 (0.44) VCAM1GPR84GAAXBP1ATM
SCHEMBL28446427 0.86 GAA (0.43) VCAM1GAAXBP1ATMNPSR1
SCHEMBL27747905 0.81 VCAM1 (0.56) VCAM1GAAXBP1ATMNPSR1
SCHEMBL27769201 0.81 VCAM1 (0.56) VCAM1GAAXBP1ATMNPSR1
SCHEMBL27769174 0.81 VCAM1 (0.56) VCAM1GAAXBP1ATMNPSR1
SCHEMBL39477 0.81 VCAM1 (0.56) VCAM1GAAXBP1ATMNPSR1
SCHEMBL7155322 0.81 VCAM1 (0.56) VCAM1GAAXBP1ATMNPSR1
SCHEMBL11347714 0.81 VCAM1 (0.56) VCAM1GAAXBP1ATMNPSR1
SCHEMBL11055882 0.80 VCAM1 (0.45) VCAM1GAAXBP1ATMNPSR1
SCHEMBL5027033 0.80 VCAM1 (0.55) VCAM1GAAXBP1ATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317437-A A kind of laser direct forming resin and preparation method 合肥杰事杰新材料股份有限公司 2019-10-11 CN claimed
CN-109467903-A A kind of charging pile polycarbonate compositions 惠州市中海源新材料科技有限公司 2019-03-15 CN claimed
CN-106368130-B A kind of permanent seal cooling wind-resistance anti-glare panel and preparation method thereof 山西省交通科学研究院 2019-02-01 CN claimed
CN-110016177-A A kind of high temperature resistant lower shrinkage Halogen-free flame retardant sheath material and preparation method thereof suitable for 5G optical cable 江苏领瑞新材料科技有限公司 2019-07-16 CN disclosed
CN-110003630-A A kind of transparent abrasion resistant fire blocking antibiotic plastic and preparation method thereof 宁波浙铁大风化工有限公司 2019-07-12 CN disclosed
CN-108336031-A A kind of power module package structure 崔金益 2018-07-27 CN disclosed
CN-108192522-A A kind of HDPE chemical bondings type adhesive waterproof coil 武汉市恒星防水材料有限公司 2018-06-22 CN disclosed
CN-106459226-A Conjugated diene polymer, method for producing same, and composition including same 日本弹性体株式会社 2017-02-22 CN disclosed