SCHEMBL28085367

SCHEMBL28085367

CC1(C)CC(OC(N)=O)CC(C)(CNC(=O)Oc2cccc3c2OCO3)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MTNR1A P48039 5/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
KCNA3 P22001 1/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
FAAH O00519 1/20 0.31
CNR1 P21554 1/20 0.31
HTR2A P28223 2/20 0.31
CHEK1 O14757 1/20 0.31
CHEK2 O96017 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
SCHEMBL2928596 0.83 TSHR (0.40) GAATSHRKCNA3LMNA
SCHEMBL2930738 0.81 TSHR (0.38) GAATSHRKCNA3
SCHEMBL2928801 0.80 TSHR (0.40) GAATSHRKCNA3
SCHEMBL2923729 0.79 THRA (0.38) TSHRKCNA3FAAH
SCHEMBL2934223 0.79 TSHR (0.41) GAATSHRALDH1A1KCNA3
SCHEMBL2931294 0.79 THRA (0.41) TSHRKCNA3LMNA
SCHEMBL2930527 0.78 THRA (0.43) TSHRKCNA3LMNACNR1
SCHEMBL2929785 0.78 THRA (0.43) TSHRKCNA3LMNACNR1
SCHEMBL2929721 0.78 THRA (0.43) TSHRKCNA3LMNACNR1
SCHEMBL2932516 0.78 TSHR (0.38) TSHRKCNA3

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
CN-103553972-B Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester 旭化成株式会社 2017-04-12 CN disclosed
CN-103588680-B N-substituted carbamate conveying with and storage compositions and manufacture isocyanates method 旭化成株式会社 2016-08-10 CN disclosed