SCHEMBL28087181

SCHEMBL28087181

CC(C)(C)OC(=O)CC1CNCC(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SLC6A1 P30531 5/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
NR1H2 P55055 1/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 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
SCHEMBL17391169 0.84 BTK (0.41) BTKKMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL5006287 0.84 BTK (0.41) BTKKMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL5006289 0.84 BTK (0.41) BTKKMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL3766740 0.84 SLC6A1 (0.34) KMT2ASLC6A1SLC6A11SLC6A13NR1H2
SCHEMBL21670694 0.83 CHRNB2 (0.40) SMN1; SMN2CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL20774552 0.82 SLC6A1 (0.33) KMT2ASLC6A1SLC6A11SLC6A13NR1H2
SCHEMBL16671305 0.77 BTK (0.41) BTKKMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL15390468 0.77 ARG1 (0.46) KMT2ACYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL31000691 0.77 ARG1 (0.46) KMT2ACYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL15390454 0.77 ARG1 (0.46) KMT2ACYP1A2CYP2D6ALOX15CYP2C19

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-105764887-A Nitrogen-containing saturated heterocyclic compound 住友化学株式会社 2016-07-13 CN disclosed