SCHEMBL31580292

SCHEMBL31580292

CC(C)=CCc1c(O)c(CCCCC=O)c(O)c(CCCCC=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.56
▸ CYP19A1 P11511 1/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ UBE2M P61081 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ PPARG P37231 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ VKORC1 Q9BQB6 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ INHA P05111 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL31580826 0.95 MAOB (0.57) MAOBCYP19A1MEN1KMT2AUBE2M
SCHEMBL11759762 0.81 CYP19A1 (0.67) MAOBCYP19A1MEN1KMT2AUBE2M
SCHEMBL28669431 0.78 HIF1A (0.53) MAOBHIF1ATRPV1
SCHEMBL31580550 0.72 CYP19A1 (0.42) MAOBCYP19A1HIF1ATRPV1HPGD
SCHEMBL4988977 0.71 TSHR (0.48) KMT2AHIF1ATRPV1
SCHEMBL10885356 0.71 — —
SCHEMBL16224901 0.70 PPARG (0.59) MAOBCYP19A1PPARGPTGESPPARD
SCHEMBL15360775 0.69 PTGES (0.56) MAOBMEN1KMT2AUBE2MRELA
SCHEMBL9853370 0.69 TSHR (0.52) KMT2AHIF1ATRPV1
SCHEMBL9853373 0.69 TSHR (0.52) KMT2AHIF1ATRPV1

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
WO-2025104281-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-05-22 — — WO disclosed
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