SCHEMBL31290565

SCHEMBL31290565

Oc1ccc(C2COc3cc(O)ccc3C2)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.68
ESR1 P03372 1/20 0.68
ESR2 Q92731 1/20 0.68
TYR P14679 4/20 0.55
PTPN1 P18031 2/20 0.55
NPC1 O15118 1/20 0.55
HSP90AA1 P07900 1/20 0.55
RAB9A P51151 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 4/20 0.54
ALOX12 P18054 4/20 0.54
ALOX15B O15296 3/20 0.54
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP19A1 P11511 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
SCHEMBL31633223 1.00 TTR (0.68) TTRESR1ESR2TYRPTPN1
SCHEMBL9276561 1.00 TTR (0.68) TTRESR1ESR2TYRPTPN1
SCHEMBL29114658 0.88 TTR (0.57) TTRESR1ESR2TYRPTPN1
SCHEMBL1850123 0.88 TTR (0.57) TTRESR1ESR2TYRPTPN1
SCHEMBL13829404 0.88 TTR (0.57) TTRESR1ESR2TYRPTPN1
SCHEMBL31643797 0.88 TTR (0.57) TTRESR1ESR2TYRPTPN1
SCHEMBL30205823 0.88 TTR (0.57) TTRESR1ESR2TYRPTPN1
SCHEMBL29869998 0.88 TTR (0.57) TTRESR1ESR2TYRPTPN1
SCHEMBL29369381 0.87 ALOX15 (0.55) TTRESR1ESR2TYRPTPN1
SCHEMBL19302107 0.83 TTR (0.58) TTRESR1ESR2TYRPTPN1

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
CN-118792272-A Licorice isopentenyl transferase and application thereof 中国科学院华南植物园 2024-10-18 CN claimed
CN-118792272-A Licorice isopentenyl transferase and application thereof 中国科学院华南植物园 2024-10-18 CN disclosed