SCHEMBL21402287

SCHEMBL21402287

CCOCCc1ccc(O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.65
TSHR P16473 2/20 0.65
MAPK1 P28482 1/20 0.65
LMNA P02545 1/20 0.63
GLA P06280 1/20 0.63
PTPN1 P18031 2/20 0.61
ALOX5 P09917 2/20 0.56
OR51E2 Q9H255 1/20 0.56
NOS2 P35228 1/20 0.55
FOS P01100 1/20 0.54
TTR P02766 1/20 0.54
JUN P05412 1/20 0.54
NR3C1 P04150 1/20 0.54
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL10763724 0.91 TAAR1 (0.71) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL21402270 0.90 TAAR1 (0.61) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL21402284 0.89 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL21402276 0.88 TAAR1 (0.58) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29191829 0.86 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL12204003 0.84 TAAR1 (0.71) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29604390 0.84 PTPN1 (0.82) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL17780116 0.84 PTPN1 (0.82) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL118289 0.83 PTPN1 (0.60) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29368720 0.83 PTPN1 (0.60) TAAR1TSHRMAPK1LMNAGLA

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-3569671-B1 METHYLMENTHOL DERIVATIVE AND COOL-SENSATION IMPARTER COMPOSITION CONTAINING SAME TAKASAGO PERFUMERY CO LTD (JP) 2022-06-22 EP claimed
EP-3275962-B1 METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME TAKASAGO PERFUMERY CO LTD (JP) 2019-10-02 EP claimed