SCHEMBL11828601

SCHEMBL11828601

CCCCCCCCC(C)C(C)c1cc(O)cc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.53
PTGS2 P35354 3/20 0.47
CYP3A4 P08684 1/20 0.44
GPR84 Q9NQS5 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL2953489 1.00 ADRB2 (0.53) ADRB2PTGS2CYP3A4GPR84SPHK1
SCHEMBL11831177 1.00 ADRB2 (0.53) ADRB2PTGS2CYP3A4GPR84SPHK1
SCHEMBL68774 0.98 ADRB2 (0.54) ADRB2PTGS2CYP3A4TSHRHIF1A
Methoxymethane SCHEMBL11832518 0.95 ADRB2 (0.49) ADRB2PTGS2CYP3A4
SCHEMBL2952875 0.93 ADRB2 (0.53) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL11301838 0.88 ADRB2 (0.46) ADRB2PTGS2CYP3A4GPR84ADRA1A
SCHEMBL10652423 0.84 PTGS2 (0.51) ADRB2PTGS2
SCHEMBL15996023 0.84 ADRB2 (0.38) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL31545144 0.82 ADRB2 (0.50) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL68546 0.81 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84SPHK1

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
US-20250090554-A1 A METHOD OF TREATING DEPRESSION BY IMMUNE MODULATION MYND LIFE SCIENCES INC (CA) 2025-03-20 US disclosed
US-3931232-A 3-Alkyl xanthene compounds SMITHKLINE CORPORATION (US) 1976-01-06 US disclosed