Urethane

Urethane

SCHEMBL9789799

CCOC(N)=O.O=C(O)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 2/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
PARP10 Q53GL7 1/20 0.43

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
Terephthalic Acid SCHEMBL2843556 0.87 ALOX15 (0.62) ALOX15TSHRCA12CA1CA2
SCHEMBL7642823 0.84 HRH3 (0.61) KDM4EHRH3CA12CA1CA2
Terephthalic Acid SCHEMBL28885479 0.82 ALOX15 (0.56) ALOX15TSHRCA12CA1CA2
Aminobenzoic Acid SCHEMBL28207996 0.81 LMNA (0.62) HRH3ALOX15TSHRPARP10LMNA
Benzoic Acid SCHEMBL27915617 0.80 ALOX15 (0.58) ALOX15TSHRLMNACYP1A2CYP3A4
Alcohol SCHEMBL28996062 0.79 KDM4E (0.62) KDM4ETSHRCA12CA1CA2
Anthracene SCHEMBL27480156 0.78 ALOX15 (0.60) KDM4EALOX15TSHRLMNACYP1A2
Terephthalamide SCHEMBL5705650 0.77 ALOX15 (0.65) ALOX15TSHRMMP2MMP13CA12
SCHEMBL867738 0.77 KDM4E (0.66) KDM4ETSHRPARP10LMNATP53
Methoxymethane SCHEMBL6861468 0.77 KDM4E (0.77) KDM4ETSHRCA12CA1CA2

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
JP-3074203-A None JP disclosed
JP-H0374203-A PNEUMATIC TIRE BRIDGESTONE CORP 1991-03-28 JP disclosed