SCHEMBL21402295

SCHEMBL21402295

CCC(Cc1ccc(OC)c(O)c1)OC(CC)Cc1ccc(OC)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.66
ALOX12 P18054 3/20 0.66
TUBB1 Q9H4B7 6/20 0.60
TUBB4A P04350 5/20 0.60
TUBB P07437 5/20 0.60
TUBA3C P0DPH7 5/20 0.60
TUBA1B P68363 5/20 0.60
TUBA4A P68366 5/20 0.60
TUBB4B P68371 5/20 0.60
TUBB3 Q13509 5/20 0.60
TUBB2A Q13885 5/20 0.60
TUBB8 Q3ZCM7 5/20 0.60
TUBA3E Q6PEY2 5/20 0.60
TUBA1A Q71U36 5/20 0.60
TUBA1C Q9BQE3 5/20 0.60
TUBB6 Q9BUF5 5/20 0.60
TUBB2B Q9BVA1 5/20 0.60
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 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
SCHEMBL21402299 0.88 ALOX15 (0.62) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL3158709 0.87 FOS (0.66) ALOX15ALOX12CYP3A4TSHRNFKB1
SCHEMBL21402294 0.84 ALOX15 (0.57) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL21402275 0.80 ALOX15 (0.75) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL20821072 0.80 ALOX15 (0.80) ALOX15ALOX12TUBB1TUBB4ATUBB
Dimethylnordihydroguarierate Acid SCHEMBL22039401 0.80 ALOX15 (1.00) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL28622516 0.77 ALOX15 (0.60) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL29398303 0.77 CYP1A2 (0.65) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL109505 0.77 CYP1A2 (0.65) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL27741309 0.77 CYP1A2 (0.65) ALOX15ALOX12TUBB1TUBB4ATUBB

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