Quinic Acid

Quinic Acid

SCHEMBL7923331

O=C(O)[C@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
AKR1B1 P15121 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
AKR1B10 O60218 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39
APP P05067 1/20 0.39
PTPN2 P17706 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
Quinic Acid SCHEMBL12026338 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL10125264 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL6656460 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL39556 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL614369 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL19490687 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL14960616 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL1286207 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL39555 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1
Quinic Acid SCHEMBL12045452 1.00 HSD17B10 (0.39) HSD17B10AKR1B1KDM4EPTPN1ALDH1A1

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-0957078-B1 Process for the preparation of shikimic acid and its derivatives HOFFMANN LA ROCHE (CH) 2001-11-28 EP disclosed
EP-0957078-A1 Process for the preparation of shikimic acid and its derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-11-17 EP disclosed