SCHEMBL9876482

SCHEMBL9876482

CCCCC=C(C)CCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
PTPN1 P18031 2/20 0.55
SQLE Q14534 3/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
SNCA P37840 1/20 0.37
PDE3A Q14432 1/20 0.37
LSS P48449 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL27785652 0.85 KDM1A (0.62) KDM1APTPN1SQLEPTGS1PDE4A
SCHEMBL18879170 0.85 KDM1A (0.44) KDM1APTPN1SQLELSSKMT2A
SCHEMBL2579524 0.83 KDM1A (0.71) KDM1APTPN1SQLEKMT2A
SCHEMBL25057488 0.83 PTPN1 (0.69) KDM1APTPN1PTGS1PDE4ASNCA
SCHEMBL2000345 0.83 SQLE (0.45) KDM1ASQLELSSKMT2A
SCHEMBL28993782 0.83 SQLE (0.45) KDM1ASQLELSSKMT2A
SCHEMBL2000347 0.83 SQLE (0.45) KDM1ASQLELSSKMT2A
SCHEMBL17240273 0.81 KDM1A (0.58) KDM1APTPN1PTGS1PDE4ASNCA
SCHEMBL21055062 0.81 PTPN1 (0.56) KDM1APTPN1SQLEPTGS1PDE4A
SCHEMBL18879135 0.81 KDM1A (0.54) KDM1APTPN1SQLELSSKMT2A

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-109277109-B Composite catalyst and preparation method thereof, application 浙江新和成股份有限公司 2019-10-25 CN claimed
CN-109277109-A Composite catalyst and preparation method thereof, application 浙江新和成股份有限公司 2019-01-29 CN claimed
CN-109277109-B Composite catalyst and preparation method thereof, application 浙江新和成股份有限公司 2019-10-25 CN disclosed
CN-106478514-B A method of synthesis gamma, delta unsaturated ketone class compound 浙江新和成股份有限公司 2019-02-12 CN disclosed
CN-109277109-A Composite catalyst and preparation method thereof, application 浙江新和成股份有限公司 2019-01-29 CN disclosed
CN-108940346-A Beta-unsaturated ketone selective hydrocatalyst and its preparation method and application 浙江大学 2018-12-07 CN disclosed
CN-106478514-A A kind of synthesis γ, the method for δ unsaturated ketone compound 浙江新和成股份有限公司 2017-03-08 CN disclosed
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
EP-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed