SCHEMBL5493089

SCHEMBL5493089

C=CCN(CC=C)CCCN(C)CC=CO

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11069859 0.84 OPRK1 (0.33) KDM4EALDH1A1TDP1
SCHEMBL2699253 0.74 ALDH1A1 (0.35) KDM4EALDH1A1TDP1
SCHEMBL27104560 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL5485335 0.73 ALDH1A1 (0.41) KDM4EALDH1A1TDP1
SCHEMBL3730317 0.73 KDM4E (0.32) LSSKDM4EALDH1A1TDP1
SCHEMBL526565 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL529337 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6527091 0.72 OPRK1 (0.35) KDM4EALDH1A1TDP1
SCHEMBL5141359 0.70
SCHEMBL213436 0.70 ALDH1A1 (0.35) KDM4EALDH1A1TDP1

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
US-20070167347-A1 Solid softener composition CLARIANT INTERNATIONAL LTD. 2007-07-19 US disclosed
EP-1502942-A1 Solid softener composition Clariant International Ltd. (CH) 2005-02-02 EP disclosed