SCHEMBL4881440

SCHEMBL4881440

COCCCNC(=O)C(C)(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 4/20 0.47
RECQL P46063 1/20 0.45
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 2/20 0.41
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL5837295 0.89 HPGD (0.39) TSHRALDH1A1HPGDGAAKMT2A
SCHEMBL4881902 0.84 ALDH1A1 (0.54) TSHRALDH1A1HPGDGAAKMT2A
SCHEMBL301433 0.83 TSHR (0.51) TSHRALDH1A1HPGDGAAKMT2A
SCHEMBL302645 0.81 MAPT (0.50) TSHRALDH1A1RECQLHPGDGAA
SCHEMBL617437 0.81 MAPT (0.43) TSHRALDH1A1RECQLHSD17B10EPHX2
SCHEMBL10092236 0.81 TSHR (0.57) TSHRALDH1A1RECQLHPGDGAA
SCHEMBL5836968 0.79 PTGS1 (0.49) ALDH1A1GAAKMT2APOLBSMN1; SMN2
SCHEMBL26200750 0.78 TSHR (0.53) TSHRALDH1A1RECQLHPGDGAA
SCHEMBL14889325 0.78 TSHR (0.47) TSHRALDH1A1HPGDKMT2AHSD17B10
SCHEMBL2159807 0.77 L3MBTL1 (0.61) TSHRALDH1A1RECQLHPGDGAA

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