Urethane

Urethane

SCHEMBL9720810

C=C(C)C(=O)OCC(C)C.CCOC(N)=O

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.72
ALOX15 P16050 1/20 0.52
THRB P10828 1/20 0.44
ALDH1A1 P00352 7/20 0.38
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR35 Q9HC97 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6560644 0.89 TSHR (0.84) TSHRTHRBALDH1A1LMNAHSD17B10
Ethylamine SCHEMBL11345820 0.85 TSHR (0.84) TSHRTHRBALDH1A1GPR35TDP1
SCHEMBL9462068 0.85 TSHR (0.84) TSHRTHRBALDH1A1TDP1
Urethane SCHEMBL2787852 0.85 ALOX15 (0.65) TSHRALOX15THRBALDH1A1LMNA
SCHEMBL24562 0.85 TSHR (1.00) TSHRTHRBALDH1A1HPGDTDP1
Methacrylic Acid SCHEMBL4581267 0.84 TSHR (0.75) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL9645536 0.84 TSHR (0.75) TSHRTHRBALDH1A1LMNAHSD17B10
Ether SCHEMBL4279341 0.84 TSHR (0.81) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL9082422 0.83 TSHR (0.95) TSHRTHRBALDH1A1HPGDTDP1
Hydroxyl Radical SCHEMBL28311885 0.83 TSHR (0.95) TSHRTHRBALDH1A1HPGDTDP1

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-5126392-A Color deepening with emulsion-polymerized resin and cationic protective colloid KAO CORPORATION (JP) 1992-06-30 US disclosed