SCHEMBL16174035

SCHEMBL16174035

C=CC/C=C\C/C=C\CCCCCCCc1cc(O)cc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.57
▸ CBS P35520 1/20 0.55
▸ CALM1 P0DP23 3/20 0.48
▸ GABRA1 P14867 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ CNR1 P21554 3/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ NOS2 P35228 1/20 0.43

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
SCHEMBL2467234 0.86 CBS (0.74) PTGS2CBSCNR1CNR2
SCHEMBL31546163 0.86 CBS (0.74) PTGS2CBSCNR1CNR2
SCHEMBL3296522 0.86 CBS (0.74) PTGS2CBSCNR1CNR2
SCHEMBL16984604 0.80 PPARA (0.51) CNR1
SCHEMBL31680811 0.78 ALOX5 (0.47) PTGS2CNR1CNR2
SCHEMBL5320004 0.77 CNR1 (0.54) PTGS2CBSCNR1CNR2
SCHEMBL5320009 0.77 CNR1 (0.54) PTGS2CBSCNR1CNR2
SCHEMBL26430147 0.76 EP300 (0.45) CBSCNR1CNR2
SCHEMBL13456991 0.76 CBS (0.55) PTGS2CBSCNR1CNR2
SCHEMBL29186836 0.76 CBS (0.50) CBS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250277229-A1 ABCG-TYPE SORGOLEONE TRANSPORTER FROM SORGHUM BICOLOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2025-09-04 — — US disclosed
US-20160137988-A1 NOVEL CYTOCHROME P450 ENZYMES FROM SORGHUM BICOLOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2016-05-19 — — US disclosed
US-20140308731-A1 Novel Cytochrome P450 Enzymes From Sorghum Bicolor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2014-10-16 — — US disclosed
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