SCHEMBL17791682

SCHEMBL17791682

O=C(OC1CCOC(CCl)C1)OC1CCOC(CCl)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17791688 0.90 LMNA (0.38) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL17791684 0.88 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL17791689 0.78 ALDH1A1 (0.39) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL12989914 0.70 ATM (0.33)
SCHEMBL21727736 0.69 CHRM2 (0.32)
SCHEMBL20776509 0.69 CHRM2 (0.32)
SCHEMBL20776443 0.69 CHRM2 (0.32)
SCHEMBL21281750 0.69
SCHEMBL4330147 0.68
SCHEMBL584063 0.68

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-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed