SCHEMBL587165

SCHEMBL587165

CCC(N)(CC)CC1CO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL194774 0.98 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL11032545 0.81 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL31552897 0.79 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1TDP1
SCHEMBL2722582 0.73 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL3514633 0.72
SCHEMBL28074140 0.71
SCHEMBL31223168 0.71
SCHEMBL990048 0.70 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL10777594 0.70
Hydrochloric Acid SCHEMBL8883895 0.70

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
EP-1791871-B1 PROCESS FOR PREPARING REDUCED ODOR LOW MOLECULAR WEIGHT CATIONIC POLYGALACTOMANNAN HERCULES INC (US) 2012-02-15 EP claimed
EP-1501873-B1 A CATIONIC POLYMER COMPOSITION AND ITS USE IN CONDITIONING APPLICATIONS HERCULES INC (US) 2007-05-30 EP claimed