SCHEMBL4881902

SCHEMBL4881902

CC(C)OCCCNC(=O)C(C)(C(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PAX8 Q06710 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL16978269 0.86 ALDH1A1 (0.57) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL4881440 0.84 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL301433 0.81 TSHR (0.51) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL302645 0.80 MAPT (0.50) ALDH1A1TSHRSMN1; SMN2GAAHSD17B10
SCHEMBL617437 0.80 MAPT (0.43) ALDH1A1TSHRSMN1; SMN2HSD17B10POLB
SCHEMBL17322958 0.79 GAA (0.58) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL12989912 0.79 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL5836968 0.78 PTGS1 (0.49) ALDH1A1SMN1; SMN2GAAKMT2ATDP1
SCHEMBL5837295 0.77 HPGD (0.39) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL14889325 0.76 TSHR (0.47) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293821-A1 Cooling compositions MOZA ASHOK K 2008-11-27 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
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-7030273-B1 Compounds with physiological cooling effect QAROMA, INC (US) 2006-04-18 US disclosed