SCHEMBL11265612

SCHEMBL11265612

CCOC(=O)ON=C(C#N)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 1/20 0.47
CYP2C9 P11712 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
THRB P10828 1/20 0.39
SOAT1 P35610 1/20 0.39
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ALOX15 P16050 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11265608 1.00 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL11327516 0.90 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL11327513 0.90 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL10741519 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL10741524 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL11322545 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL11822669 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL11322543 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL11825129 0.86 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL11825134 0.86 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4341707-A CHEMICAL INTERMEDIATES; PEPTIDE SYNTHESIS Ogura, Haruo (JP) 1982-07-27 US disclosed
US-RE30752-E CHEMICAL REACTANT FOR PROTECTING AMINO OR IMINO GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-29 US disclosed
US-4010178-A Carbonic acid esters, and the preparation thereof and their use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-03-01 US disclosed
US-3976635-A Novel esterifying agents, and their production and use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-24 US disclosed