SCHEMBL31545189

SCHEMBL31545189

COc1cc(C(C)C)cc(O)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
TRPA1 O75762 1/20 0.39

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
SCHEMBL15783782 0.85 HDAC4 (0.44) TSHRCYP3A4NPSR1SLC22A3HDAC4
SCHEMBL20131281 0.83 GABRA1 (0.57) GABRA1GABRB2TUBB4ATUBBTUBA3C
SCHEMBL7528889 0.80 GABRA1 (0.56) GABRA1GABRB2TSHRCYP3A4TRPA1
SCHEMBL13788838 0.80 GABRA1 (0.44) GABRA1GABRB2TUBB4ATUBBTUBA3C
SCHEMBL31545099 0.80 ACHE (0.45) TRPA1GAAALOX15ALOX12FOS
SCHEMBL25955631 0.80 MAPK1 (0.50) CYP3A4ERN1MAOB
SCHEMBL31439156 0.80 MAPK1 (0.50) CYP3A4ERN1MAOB
SCHEMBL14605789 0.80 ACHE (0.45) TRPA1GAAALOX15ALOX12FOS
SCHEMBL13788860 0.80 TUBB1 (0.53) GABRA1GABRB2TUBB4ATUBBTUBA3C
SCHEMBL31545891 0.79 GABRA1 (0.44) GABRA1GABRB2TSHRCYP3A4TRPA1

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