SCHEMBL16444516

SCHEMBL16444516

C1CCC(N(C2CCCCC2)C2CCC(C3CCC(C4CCC(N(C5CCCCC5)C5CCCCC5)CC4)CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 7/20 0.42
ALDH1A1 P00352 1/20 0.41
ADH1C P00326 5/20 0.38
ADH4 P08319 1/20 0.38
PHGDH O43175 2/20 0.33
ADH1B P00325 1/20 0.31
FDPS P14324 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 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
SCHEMBL15160887 1.00 ADH1A (0.42) ADH1AALDH1A1ADH1CADH4PHGDH
SCHEMBL25990561 1.00 ADH1A (0.42) ADH1AALDH1A1ADH1CADH4PHGDH
SCHEMBL25990572 1.00 ADH1A (0.42) ADH1AALDH1A1ADH1CADH4PHGDH
SCHEMBL25990571 1.00 ADH1A (0.42) ADH1AALDH1A1ADH1CADH4PHGDH
SCHEMBL25990565 0.97 ALDH1A1 (0.47) ADH1AALDH1A1ADH1CADH4PHGDH
SCHEMBL25990568 0.97 ALDH1A1 (0.47) ADH1AALDH1A1ADH1CADH4PHGDH
SCHEMBL15160882 0.97 ALDH1A1 (0.47) ADH1AALDH1A1ADH1CADH4PHGDH
SCHEMBL17880676 0.94 ALDH1A1 (0.50) ADH1AALDH1A1ADH1CADH4
SCHEMBL14837837 0.90 ADH1A (0.48) ADH1AALDH1A1ADH1CADH4PHGDH
SCHEMBL16176145 0.87 ALDH1A1 (0.38) ADH1AALDH1A1ADH1CADH4FDPS

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
US-20150037732-A1 METHOD FOR MANUFACTURING PHOTORECEPTOR LAYERS XEROX CORPORATION (US) 2015-02-05 US disclosed