SCHEMBL6061772

SCHEMBL6061772

CCC(C)(C)N(C1CCCCC1)C(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.39
ADH1C P00326 4/20 0.39
CYP1A2 P05177 2/20 0.34
SHBG P04278 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ADH1B P00325 1/20 0.30
FAAH O00519 1/20 0.30
PHGDH O43175 1/20 0.30
MGLL Q99685 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
SCHEMBL18433477 0.79 ADH1A (0.39) ADH1AADH1CCYP1A2SHBGCYP2D6
SCHEMBL21150311 0.77 ADH1A (0.32) ADH1AADH1C
SCHEMBL24489032 0.76 ADH1A (0.38) ADH1AADH1CCYP1A2HRH4HRH3
SCHEMBL23475077 0.74 ADH1A (0.38) ADH1AADH1C
SCHEMBL6062935 0.74 ADH1A (0.39) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL24246402 0.73 ADH1A (0.34) ADH1AADH1C
SCHEMBL20228495 0.71 ADH1A (0.35) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL810840 0.70 PHGDH (0.37) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL28226498 0.70 PHGDH (0.37) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL11626082 0.70 PHGDH (0.37) ADH1AADH1CCYP1A2CYP2D6CYP2C19

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-1454958-B1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEM CO LTD (JP) 2006-10-04 EP disclosed
US-20050001349-A1 Lactic acid polymer composition and molded object thereof NEW JAPAN CHEMICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1454958-A1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEMICAL CO.,LTD. (JP) 2004-09-08 EP disclosed
US-5973076-A MOLDING; CONTROLLING TEMPERATURE IN PRESENCE OF AN AMIDE COMPOUND NEW JAPAN CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0776933-B1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEM CO LTD (JP) 1999-08-04 EP disclosed
EP-0776933-A1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEMICAL CO.,LTD. (JP) 1997-06-04 EP disclosed