SCHEMBL6439604

SCHEMBL6439604

OC1CCCCC1C1=CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
CYP2C19 P33261 2/20 0.31
ESR1 P03372 1/20 0.31
CHRM2 P08172 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
PGR P06401 1/20 0.31
MAOA P21397 1/20 0.31
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 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
SCHEMBL17471041 1.00 KDM1A (0.52) KDM1ACYP2C19ESR1CHRM2ACHE
SCHEMBL20373935 0.76 KDM1A (0.68) KDM1A
SCHEMBL25703000 0.76 KDM1A (0.52) KDM1ACYP2C19ESR1CHRM2ACHE
SCHEMBL19158328 0.74 KDM1A (0.46) KDM1A
SCHEMBL5954664 0.73 KDM1A (0.53) KDM1ACYP2C19ESR1CHRM2ACHE
SCHEMBL1904517 0.72 KDM1A (0.50) KDM1AHSD11B1
SCHEMBL122872 0.72 KDM1A (0.50) KDM1AHSD11B1
SCHEMBL19107390 0.71 KDM1A (0.50) KDM1A
SCHEMBL5699292 0.70 KDM1A (0.48) KDM1AHIF1AHSD11B1
SCHEMBL8361882 0.70 KDM1A (0.48) KDM1AHIF1AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142858-B1 PROCESS FOR PRODUCING ALIPHATIC ALDEHYDIC ACID AND/OR ALIPHATIC DICARBOXYLIC ACID MITSUBISHI CHEM CORP (JP) 2005-03-09 EP disclosed
US-6632964-B2 Catalytic oxidation of a cyclic ketone MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-14 US disclosed
US-20020004609-A1 Process for production of aliphatic aldehyde-acid and/or aliphatic dicarboxylic acid and catalyst for the production MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-10 US disclosed
EP-1142858-A1 PROCESS FOR PRODUCING ALIPHATIC ALDEHYDIC ACID AND/OR ALIPHATIC DICARBOXYLIC ACID AND CATALYST FOR THE PRODUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 2001-10-10 EP disclosed
US-4731488-A Vapor-phase hydrogen transfer reaction of carbonyl compound with alcohol NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1988-03-15 US disclosed