SCHEMBL28170264

SCHEMBL28170264

C=CC(C)CCC=C(C)CCCOC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
PTPN1 P18031 2/20 0.43
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL158258 0.81 ALOX15 (0.42) ALOX15PTPN1KDM1AALDH1A1USP2
SCHEMBL10980197 0.81 ALOX15 (0.42) ALOX15PTPN1KDM1AALDH1A1USP2
SCHEMBL31632562 0.78 KDM1A (0.47) PTPN1KDM1AFNTAFNTB
SCHEMBL1717079 0.76 KDM1A (0.41) KDM1AMAPTLMNATSHRFNTA
SCHEMBL8672011 0.76 ALOX15 (0.34) ALOX15PTPN1KDM1ATSHR
SCHEMBL30987457 0.74 HPGD (0.46) ALOX15KDM1AALDH1A1MAPTHPGD
SCHEMBL228079 0.74 HPGD (0.46) ALOX15KDM1AALDH1A1MAPTHPGD
SCHEMBL31412791 0.74 HPGD (0.46) ALOX15KDM1AALDH1A1MAPTHPGD
SCHEMBL31412804 0.74 HPGD (0.46) ALOX15KDM1AALDH1A1MAPTHPGD
SCHEMBL228078 0.74 HPGD (0.46) ALOX15KDM1AALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103889969-B The method for preparing straight chain and the high allyl ester of ring-type and amides compound 奇华顿股份有限公司 2017-08-22 CN disclosed