SCHEMBL10788836

SCHEMBL10788836

O=C(C=CC=Cc1ccc2c(c1)OCO2)CCCC(=O)C=CC=Cc1ccc2c(c1)OCO2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.70
▸ CYP1A2 P05177 2/20 0.70
▸ HDAC6 Q9UBN7 2/20 0.65
▸ GABRA1 P14867 5/20 0.63
▸ GABRB2 P47870 5/20 0.63
▸ GABRG2 P18507 2/20 0.61
▸ GABRB3 P28472 2/20 0.61
▸ GABRA3 P34903 2/20 0.61
▸ GABRA2 P47869 2/20 0.61
▸ MAOB P27338 3/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ TRPV1 Q8NER1 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MAOA P21397 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ CTSD P07339 1/20 0.60
▸ ABCB1 P08183 1/20 0.60

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
SCHEMBL4522260 0.90 HSD17B10 (0.76) HSD17B10CYP1A2HDAC6GABRA1GABRB2
SCHEMBL16576815 0.84 TRPM8 (0.68) HSD17B10CYP1A2GABRA1GABRB2MAOB
SCHEMBL28459047 0.83 HSD17B10 (0.65) HSD17B10CYP1A2HDAC6GABRA1GABRB2
Piperic Acid SCHEMBL29429112 0.82 HSD17B10 (1.00) HSD17B10CYP1A2HDAC6GABRA1GABRB2
Piperic Acid SCHEMBL11460092 0.82 HSD17B10 (1.00) HSD17B10CYP1A2HDAC6GABRA1GABRB2
Piperic Acid SCHEMBL11460093 0.82 HSD17B10 (1.00) HSD17B10CYP1A2HDAC6GABRA1GABRB2
Piperic Acid SCHEMBL447578 0.82 HSD17B10 (1.00) HSD17B10CYP1A2HDAC6GABRA1GABRB2
Piperic Acid SCHEMBL288595 0.82 HSD17B10 (1.00) HSD17B10CYP1A2HDAC6GABRA1GABRB2
SCHEMBL24601639 0.81 HSD17B10 (0.76) HSD17B10CYP1A2HDAC6GABRA1GABRB2
SCHEMBL17340467 0.81 HSD17B10 (0.76) HSD17B10CYP1A2HDAC6GABRA1GABRB2

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
EP-0061782-B1 COMPOSITE SEMIPERMEABLE MEMBRANE AND PROCESS FOR PREPARATION THEREOF NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1987-06-24 — — EP disclosed
US-4612118-A Composite semipermeable membrane of polyamine and trianzine NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1986-09-16 — — US disclosed
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