SCHEMBL27407804

SCHEMBL27407804

CCNN(C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.39
ADH1C P00326 4/20 0.39
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.31
SHBG P04278 1/20 0.31
ADH1B P00325 1/20 0.30
ATM Q13315 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL27391484 0.98 ADH1A (0.35) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL27394443 0.79 CYP1A2 (0.39) ADH1AADH1CEPHX1
SCHEMBL1685454 0.78 ADH1A (0.40) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL23838294 0.77 PIK3CD (0.44)
SCHEMBL11774321 0.77 ADH1C (0.43) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL10863722 0.74 ADH1A (0.42) ADH1AADH1CPHGDHALDH1A1EPHX1
SCHEMBL18977692 0.73 ADH1C (0.39) ADH1AADH1CEPHX1ADH1B
SCHEMBL11488025 0.73 KDM4E (0.35) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL8979133 0.72 ADH1A (0.42) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL11796297 0.71 ADH1A (0.39) ADH1AADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1063442-C Aminothiazole derivatives, drug containing the same and intermediate in the production of the compounds ZERIA PHARM CO LTD (JP) 2001-03-21 CN disclosed
CN-1184471-A Aminothiazole derivatives, drug containing the same and intermediate in the production of the compounds ZERIA PHARM CO LTD (JP) 1998-06-10 CN disclosed