SCHEMBL8735440

SCHEMBL8735440

CC(=CC=O)CCC=C(C)CCCC(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.64
ALDH1A1 P00352 1/20 0.56
PTPN1 P18031 2/20 0.49
SQLE Q14534 3/20 0.41
KMT2A Q03164 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
SCHEMBL29663830 1.00 KDM1A (0.64) KDM1AALDH1A1PTPN1SQLEKMT2A
SCHEMBL11667347 0.94 PTPN1 (0.59) KDM1AALDH1A1PTPN1
SCHEMBL11667351 0.94 PTPN1 (0.59) KDM1AALDH1A1PTPN1
SCHEMBL1785863 0.89 PTPN1 (0.48) KDM1AALDH1A1PTPN1
SCHEMBL15822466 0.89 PTPN1 (0.48) KDM1AALDH1A1PTPN1
SCHEMBL1785861 0.89 PTPN1 (0.48) KDM1AALDH1A1PTPN1
SCHEMBL2579524 0.85 KDM1A (0.71) KDM1AALDH1A1PTPN1SQLEKMT2A
SCHEMBL1781241 0.83 ALDH1A1 (0.45) KDM1AALDH1A1PTPN1
SCHEMBL1781238 0.83 ALDH1A1 (0.45) KDM1AALDH1A1PTPN1
SCHEMBL6907669 0.83 KDM1A (0.59) KDM1AALDH1A1PTPN1SQLEKMT2A

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
EP-0806405-A1 Process for the preparation of hexahydrofarnesylacetone from 6,7-dihydrogeraniol and intermediates for their production BASF AKTIENGESELLSCHAFT (DE) 1997-11-12 EP claimed
JP-10045659-A None JP disclosed
JP-H1045659-A PRODUCTION OF HEXAHYDROFARNESYL ACETONE AND NEW INTERMEDIATE FOR THE PRODUCTION BASF AG 1998-02-17 JP disclosed
CN-1172795-A Preparation of hexahydrofarnesylacetone form 6, 7 -dihydrogeraniol, and novel intermadiates therefor BASF AG (DE) 1998-02-11 CN disclosed
EP-0806405-A1 Process for the preparation of hexahydrofarnesylacetone from 6,7-dihydrogeraniol and intermediates for their production BASF AKTIENGESELLSCHAFT (DE) 1997-11-12 EP disclosed
EP-0806405-A1 Process for the preparation of hexahydrofarnesylacetone from 6,7-dihydrogeraniol and intermediates for their production BASF AKTIENGESELLSCHAFT (DE) 1997-11-12 EP disclosed