SCHEMBL6290256

SCHEMBL6290256

NC(=O)NCC(CO)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.32
BCAT2 O15382 1/20 0.32
TSHR P16473 3/20 0.32
NFKB1 P19838 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THPO P40225 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA5A P35218 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RECQL P46063 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
SCHEMBL6289548 0.86 TDP1 (0.31) TDP1
SCHEMBL15044216 0.77 TDP1 (0.34) TDP1TSHRNFKB1LMNACYP1A2
SCHEMBL6289599 0.75 TDP1 (0.33) TDP1
SCHEMBL6290116 0.75 SMN1; SMN2 (0.36) TDP1TSHRALDH1A1
SCHEMBL6287640 0.75 TDP1 (0.33) TDP1
SCHEMBL193635 0.72
SCHEMBL6284420 0.72 MCL1 (0.34) TDP1
SCHEMBL308777 0.70
SCHEMBL967218 0.70
SCHEMBL30105977 0.70 CYP2D6 (0.35) CYP2C19TSHRALDH1A1

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-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed