SCHEMBL22096093

SCHEMBL22096093

CCCCCCC(C)(CC)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ENPP2 Q13822 6/20 0.36
LPAR2 Q9HBW0 3/20 0.36
EPHX1 P07099 1/20 0.34
SMPD1 P17405 1/20 0.34

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
SCHEMBL24137575 0.93 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL14177572 0.88 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL10943048 0.83 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL17090716 0.82 ALDH1A1 (0.64) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL8205402 0.81 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL7547875 0.79 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL24488743 0.79 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL19414940 0.79 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL5365508 0.77 SMN1; SMN2 (0.46) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL1458032 0.76 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1

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
US-10684281-B2 Reversible surface functionalization ILLUMINA CAMBRIDGE LIMITED (GB) 2020-06-16 US disclosed