SCHEMBL9350883

SCHEMBL9350883

C1=C(COCC2=CCCC2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
MGMT P16455 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 3/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.32
CXCR3 P49682 2/20 0.32
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
GSTP1 P09211 1/20 0.30

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
SCHEMBL9414387 0.92 ALDH1A1 (0.40) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL10881311 0.90 CXCR3 (0.41) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL10881315 0.90 CXCR3 (0.41) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL10881322 0.90 CXCR3 (0.41) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL22049059 0.86
SCHEMBL18989466 0.84 TSHR (0.56) ALDH1A1ALOX15CYP3A4
SCHEMBL29071764 0.80
SCHEMBL28049987 0.80
SCHEMBL1145336 0.80
SCHEMBL1145333 0.80

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-114751882-B Synthesis method of benzofuran 南京工业大学 2024-02-23 CN disclosed
EP-3743454-A1 CURABLE COMPOSITION COMPRISING AN ACETAL PLASTICIZER SIKA TECHNOLOGY AG (CH) 2020-12-02 EP disclosed
CN-111655748-A Curable compositions with acetal plasticizers SIKA技术股份公司 2020-09-11 CN disclosed
WO-2019145420-A1 CURABLE COMPOSITION COMPRISING AN ACETAL PLASTICIZER SIKA TECHNOLOGY AG (CH) 2019-08-01 WO disclosed
EP-0450707-B1 Catalyst system and process for the selective production of isoprenyl-alkylethers from isoprene SNAM PROGETTI (IT) 1994-09-07 EP disclosed
US-5159121-A Palladium complex catalyst SNAMPROGETTI S.P.A. (IT) 1992-10-27 US disclosed
US-5120868-A Palladium complex with phosphorus containing and/or displaceable binder SNAMPROGETTI S.P.A. (IT) 1992-06-09 US disclosed
EP-0450707-A1 Catalyst system and process for the selective production of isoprenyl-alkylethers from isoprene SNAMPROGETTI S.p.A. (IT) 1991-10-09 EP disclosed