SCHEMBL31544925

SCHEMBL31544925

CC1(C)CCc2c(cc3c(c2O)CCC(C)(C)O3)O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.46
▸ PDE5A O76074 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP19A1 P11511 3/20 0.40
▸ CTSL P07711 1/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CCR5 P51681 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ MALT1 Q9UDY8 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
SCHEMBL30440069 0.80 CTSB (0.39) CTSBPDE5APDE4DTP53CYP3A4
SCHEMBL2481913 0.80 CTSB (0.39) CTSBPDE5APDE4DTP53CYP3A4
SCHEMBL3246245 0.79 ALDH1A1 (0.49) CTSBPDE5APDE4DCYP19A1CTSL
SCHEMBL24212287 0.77 CYP19A1 (0.39) CTSBPDE5APDE4DTP53CYP3A4
SCHEMBL24212283 0.77 TP53 (0.38) CTSBPDE5APDE4DTP53CYP3A4
SCHEMBL9047877 0.76 TP53 (0.39) CTSBPDE5APDE4DTP53CYP3A4
SCHEMBL1971630 0.76 TP53 (0.39) CTSBPDE5APDE4DTP53CYP3A4
SCHEMBL22947295 0.75 CTSB (0.44) CTSBPDE5ATP53CYP3A4CYP19A1
SCHEMBL11444801 0.74 PDE5A (0.49) CTSBPDE5APDE4DTP53CYP3A4
SCHEMBL17027071 0.74 MAOA (0.41) CTSBPDE5APDE4DCYP19A1PTGS2

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
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