SCHEMBL27319099

SCHEMBL27319099

CCCCCCCCCCCCCCCCC1=NCCN1CC.CCCCCCCCCCCCCCCC[O]

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.33
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TOP2A P11388 2/20 0.31
TOP2B Q02880 2/20 0.31
MEN1 O00255 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
SCHEMBL27315899 1.00 SCD (0.33) SCDKMT2ASMN1; SMN2TOP2ATOP2B
SCHEMBL10617494 0.92 TOP2A (0.35) SCDKMT2ATOP2ATOP2BMEN1
SCHEMBL9164590 0.92 TOP2A (0.35) SCDKMT2ATOP2ATOP2BMEN1
SCHEMBL10616840 0.92 TOP2A (0.35) SCDKMT2ATOP2ATOP2BMEN1
SCHEMBL10792536 0.92 TOP2A (0.35) SCDKMT2ATOP2ATOP2BMEN1
SCHEMBL9168417 0.92 TOP2A (0.35) SCDKMT2ATOP2ATOP2BMEN1
SCHEMBL8579690 0.92 TOP2A (0.35) SCDKMT2ATOP2ATOP2BMEN1
Ammonia Solution, Strong SCHEMBL2289227 0.90 TOP2A (0.34) SCDKMT2ATOP2ATOP2BMEN1
Hydrochloric Acid SCHEMBL11117732 0.90 TOP2A (0.36) SCDKMT2ATOP2ATOP2BMEN1
Acetic Acid SCHEMBL11165000 0.85 SCD (0.41) SCD

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
CN-1050576-A Contain the fabric sofetening of quaternized di-substituted imidazoline ester fabric soft compound and nonionic fabric soft compound and antistatic PROCTER & GAMBLE (US) 1991-04-10 CN disclosed