SCHEMBL5487997

SCHEMBL5487997

CCC(CC)CCCCCCCCCCCCCCCCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
DNM1 Q05193 9/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.48
CYP3A4 P08684 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
LMNA P02545 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
SCHEMBL21753957 1.00 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL589418 1.00 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL16596401 1.00 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL6901715 1.00 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL3622973 1.00 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL3614645 1.00 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL2926856 1.00 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL22882627 1.00 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL516454 0.97 ALDH1A1 (0.52) ALDH1A1TDP1DNM1TSHRMEN1
SCHEMBL23093999 0.94 ALDH1A1 (0.50) ALDH1A1TDP1DNM1TSHRMEN1

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-1359213-B1 Aqueous Detergent Compositions COGNIS IP MAN GMBH (DE) 2007-03-21 EP disclosed
EP-1359213-A1 Aqueous Detergent Compositions Cognis Iberia, S.L. (ES) 2003-11-05 EP disclosed