SCHEMBL31545819

SCHEMBL31545819

Cc1c(O)cc(C(C)CCCC(C)(C)C)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.42
ACHE P22303 1/20 0.35
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
CYP3A4 P08684 1/20 0.31
KDR P35968 1/20 0.31
RORC P51449 1/20 0.31
AKT1 P31749 2/20 0.31
PDPK1 O15530 1/20 0.31
PHLPP1 O60346 1/20 0.31
ILK Q13418 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 1/20 0.30

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
SCHEMBL69217 0.72 ALDH1A1 (0.50) ACHETRPA1PTGS1CACNA1CCYP3A4
SCHEMBL23625455 0.72 RIPK1 (0.51) RIPK1ACHEPTGS1CACNA1CMAPT
SCHEMBL4567339 0.70 CNR1 (0.46) ACHE
SCHEMBL31546039 0.70 ACHE (0.34) ACHETRPA1PTGS1CACNA1CCYP3A4
SCHEMBL10898519 0.69 RORC (0.46) RIPK1PTGS1RORCKDM4EALDH1A1
SCHEMBL31545049 0.68 ESR1 (0.36) ACHECYP3A4
SCHEMBL6838141 0.68 CNR1 (0.44) ACHEAKT1PDPK1PHLPP1ILK
SCHEMBL2293692 0.67 GAA (0.39) CYP3A4KDRRORCKDM4EALDH1A1
SCHEMBL1494320 0.67 TRPA1 (0.56) ACHETRPA1PTGS1CACNA1CCYP3A4
SCHEMBL2289500 0.66 KDR (0.37) KDRRORCKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250090554-A1 A METHOD OF TREATING DEPRESSION BY IMMUNE MODULATION MYND LIFE SCIENCES INC (CA) 2025-03-20 US disclosed