SCHEMBL19839960

SCHEMBL19839960

COc1cc(CC(=O)OCC[C@H](C)CCC=C(C)C)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRPV1 Q8NER1 6/20 0.47
FOS P01100 1/20 0.43
TTR P02766 1/20 0.43
JUN P05412 1/20 0.43
NR3C1 P04150 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
IARS1 P41252 1/20 0.42

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
SCHEMBL21046217 1.00 ALOX15 (0.49) ALOX15ALDH1A1GAATSHRNFKB1
SCHEMBL19839967 1.00 ALOX15 (0.49) ALOX15ALDH1A1GAATSHRNFKB1
SCHEMBL22697593 0.84 TRPV1 (0.58) ALOX15ALDH1A1GAATSHRTRPV1
SCHEMBL19839958 0.83 TRPV1 (0.55) ALDH1A1GAATSHRNFKB1TDP1
SCHEMBL17179832 0.82 TSHR (0.58) ALOX15ALDH1A1GAATSHRNFKB1
SCHEMBL30242334 0.82 TSHR (0.58) ALOX15ALDH1A1GAATSHRNFKB1
SCHEMBL17179822 0.80 ALDH1A1 (0.58) ALDH1A1GAATSHRNFKB1TDP1
SCHEMBL30242344 0.80 ALDH1A1 (0.58) ALDH1A1GAATSHRNFKB1TDP1
SCHEMBL874243 0.79 ALOX15 (0.58) ALOX15ALDH1A1TSHRTDP1TRPV1
SCHEMBL25061850 0.78 ALDH1A1 (0.56) ALOX15ALDH1A1GAATSHRNFKB1

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
EP-3494104-A1 WARMING SENSATION COMPOUNDS Takasago International Corporation (JP) 2019-06-12 EP disclosed
WO-2018027202-A1 WARMING SENSATION COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2018-02-08 WO disclosed