SCHEMBL4873828

SCHEMBL4873828

CCCCOCCCNC(=O)C(C)(C(C)C)C(C)C.CCNC(=O)C(CC)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX1 P07099 1/20 0.36
TSHR P16473 4/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
HPGD P15428 1/20 0.33
EPHX2 P34913 2/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL302645 0.88 MAPT (0.50) MAPTHSD17B10EPHX1TSHRRECQL
SCHEMBL617437 0.82 MAPT (0.43) MAPTHSD17B10EPHX1TSHRRECQL
SCHEMBL301433 0.78 TSHR (0.51) HSD17B10TSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL2487164 0.75
SCHEMBL291784 0.74 MMP1 (0.33) SMN1; SMN2MMP9MMP8
SCHEMBL14889325 0.73 TSHR (0.47) HSD17B10TSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL18287161 0.73 EPHX1 (0.59) EPHX1SMN1; SMN2MMP8
SCHEMBL18287168 0.73 EPHX1 (0.59) EPHX1SMN1; SMN2MMP8
SCHEMBL18287170 0.73 EPHX1 (0.59) EPHX1SMN1; SMN2MMP8
SCHEMBL3240918 0.72 MMP8 (0.34) TSHRSMN1; SMN2ALDH1A1MMP9MMP8

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
US-20080038386-A1 Use of a liquid cooling sensate to provide a pungent, warming or tingling sensate composition MOZA ASHOK K 2008-02-14 US disclosed
US-20080038386-A1 Use of a liquid cooling sensate to provide a pungent, warming or tingling sensate composition MOZA ASHOK K 2008-02-14 US disclosed