SCHEMBL6855669

SCHEMBL6855669

CCCCC1CCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL30150926 0.91 SPHK2 (0.54) SIGMAR1SPHK2SPHK1
SCHEMBL6848584 0.90 SIGMAR1 (0.50) SIGMAR1
SCHEMBL11990424 0.89 OPRD1 (0.54) SIGMAR1SPHK2SPHK1
SCHEMBL4794878 0.85 OPRD1 (0.53) SIGMAR1SPHK2SPHK1
SCHEMBL6852984 0.83 SIGMAR1 (0.51) SIGMAR1
SCHEMBL11990397 0.81 GBA1 (0.46) SIGMAR1
SCHEMBL8155358 0.81 TAAR1 (0.58) SIGMAR1
SCHEMBL11990378 0.80 SIGMAR1 (0.61) SIGMAR1
SCHEMBL21538565 0.79 CARM1 (0.47) SIGMAR1
SCHEMBL18751633 0.79 OPRD1 (0.56) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828129-B2 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-12-07 US disclosed
US-6812008-B2 NUCLEOTIDE SEQUENCES CODING POLYPEPTIDE FOR USE IN THE GENERATION OF S-N-BENZYLAZETIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-02 US disclosed
US-6537790-B1 Isolated protein of given sequence which can produce N-substituted cyclic imino acids by hydrolization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed