SCHEMBL28021915

SCHEMBL28021915

C=CCN(C(=O)OCCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.44
GLA P06280 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL9711947 0.88 TSHR (0.51) TSHRLMNAALDH1A1GLATP53
SCHEMBL4920806 0.83 LMNA (0.49) TSHRLMNAALDH1A1GLATP53
SCHEMBL5805479 0.81 TSHR (0.57) TSHRLMNAALDH1A1GLASMN1; SMN2
SCHEMBL11432478 0.81 TP53 (0.51) TSHRLMNAALDH1A1GLATP53
SCHEMBL4910205 0.81 TP53 (0.47) TSHRLMNAALDH1A1GLATP53
SCHEMBL9249496 0.81 TSHR (0.53) TSHRLMNAALDH1A1GLATP53
SCHEMBL3081849 0.81 HCAR2 (0.47) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL4953155 0.78 TSHR (0.50) TSHRLMNAALDH1A1GLATP53
SCHEMBL4922482 0.78 NPC1 (0.46) TSHRLMNAALDH1A1GLATP53
SCHEMBL11438696 0.78 HPGD (0.48) TSHRLMNAALDH1A1SMN1; SMN2MEN1

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
CN-104788343-A Ortho-substituted allyl carbamate compound and preparation method thereof UNIV TONGJI 2015-07-22 CN disclosed