SCHEMBL28296206

SCHEMBL28296206

[BaH2].c1ccc2c(c1)CCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
TSHR P16473 1/20 0.46
CTNNB1 P35222 7/20 0.45
WNT3A P56704 7/20 0.45
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
OXTR P30559 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
NOTUM Q6P988 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL8447 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
Fluoride SCHEMBL28202465 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL28007596 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL29356442 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL5313090 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCTNNB1
SCHEMBL7650589 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1
Water SCHEMBL7527071 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1
Water SCHEMBL5189676 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1
Ammonia Solution, Strong SCHEMBL2078097 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1
Bromide SCHEMBL11373619 0.95 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCTNNB1

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
CN-110396347-A A kind of Zirconium oxide analyzer shell aging resistant coating and preparation method thereof ANHUI NATURAL TALENT INSTR CO LTD 2019-11-01 CN disclosed
CN-109836139-A A kind of ageing-resistant ceramic material 常州市飞腾工业自动化技术有限公司 2019-06-04 CN disclosed
CN-109017133-A A kind of simple drawing board of structure 四川省广安中学实验学校 2018-12-18 CN disclosed
CN-108841259-A A kind of fluorescence advertisement paint 杨波 2018-11-20 CN disclosed
CN-107722795-A A kind of outdoor environment protection oil paint 成都八斗广告设计有限公司 2018-02-23 CN disclosed
CN-107699109-A A kind of outdoor spray paint 成都八斗广告设计有限公司 2018-02-16 CN disclosed