SCHEMBL31036121

SCHEMBL31036121

C/C=C(\C)C(=O)c1c(OC)c2c(c3c(CCC)cc(=O)oc13)OC(C)(C)C=C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.55
▸ CA1 P00915 5/20 0.55
▸ CA7 P43166 5/20 0.55
▸ CA9 Q16790 5/20 0.55
▸ CA13 Q8N1Q1 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ CA2 P00918 2/20 0.55
▸ APAF1 O14727 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HIF1A Q16665 4/20 0.38
▸ EPAS1 Q99814 4/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL6630866 0.90 CA12 (0.58) CA12CA1CA7CA9CA13
SCHEMBL2146479 0.82 CA12 (0.44) CA12CA1CA7CA9CA13
SCHEMBL30876198 0.82 CA12 (0.44) CA12CA1CA7CA9CA13
SCHEMBL7102400 0.81 CA12 (0.54) CA12CA1CA7CA9CA13
SCHEMBL6650989 0.80 CA12 (0.55) CA12CA1CA7CA9CA13
SCHEMBL6654459 0.80 CA12 (0.53) CA12CA1CA7CA9CA13
SCHEMBL6652226 0.79 ALDH1A1 (0.60) CA12CA1CA7CA9CA13
SCHEMBL6690572 0.79 CA12 (0.53) CA12CA1CA7CA9CA13
SCHEMBL6685184 0.77 CA12 (0.51) CA12CA1CA7CA9CA13
SCHEMBL13062753 0.76 ALDH1A1 (0.59) CA12CA1CA7CA9CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025023059-A1 METHOD FOR PRODUCING BIOFUEL AND METHOD FOR IMPROVING METHYL ESTERIFICATION EFFICIENCY OF TAMANU OIL 株式会社J-オイルミルズ 2025-01-30 — — WO disclosed
CN-118973562-A Compositions comprising nicotinamide, nicotinamide precursors, nicotinamide metabolites, or combinations thereof for preventing or alleviating one or more post-acute symptoms of an infectious disease 康纳里斯研究院股份公司 2024-11-15 — — CN disclosed
WO-2024203260-A1 METHOD FOR PRODUCING BIOFUEL AND METHOD FOR IMPROVING HYDROGENATION EFFICIENCY IN HYDROGENATION TREATMENT OF TAMANU OIL 株式会社J-オイルミルズ 2024-10-03 — — WO disclosed
US-20240290416-A1 MICROBIAL COMMUNITY-SCALE METABOLIC MODELING PREDICTS PERSONALIZED SHORT-CHAIN-FATTY-ACID PRODUCTION PROFILES IN THE HUMAN GUT INSTITUTE FOR SYSTEMS BIOLOGY (US) 2024-08-29 — — US disclosed
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