SCHEMBL11082587

SCHEMBL11082587

CCC(C)O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYR P14679 4/20 0.50
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
TACR1 P25103 1/20 0.32
GBA1 P04062 1/20 0.31
GANAB Q14697 1/20 0.31
CA12 O43570 2/20 0.30
CA9 Q16790 2/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL11080316 0.83 TYR (0.42) TYRTHRBTACR1GBA1GANAB
SCHEMBL26385620 0.82 TYR (0.46) TYRTHRBTACR1CA12CA9
SCHEMBL13096293 0.82 TYR (0.46) TYRTHRBTACR1CA12CA9
SCHEMBL18622063 0.82 TYR (0.46) TYRTHRBTACR1CA12CA9
SCHEMBL23488810 0.81 TYR (0.41) TYRTACR1GBA1GANAB
SCHEMBL10887345 0.79 ALDH1A1 (0.36) TYRALDH1A1THRB
SCHEMBL10887350 0.79 ALDH1A1 (0.36) TYRALDH1A1THRB
SCHEMBL6930937 0.78 TYR (0.42) TYRTHRBTACR1CA12CA9
SCHEMBL11034505 0.78 TYR (0.42) TYRTHRBTACR1CA12CA9
SCHEMBL10964377 0.77 TYR (0.41) TYRALDH1A1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57082386-A None JP disclosed
EP-0052340-B1 C-BETA-D-XYLOPYRANOSIDE SERIES COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Seikagaku Kogyo Co. Ltd. (JP) 1984-08-08 EP disclosed
US-4454123-A ANTICOAGULANTS, ANTITUMOR AGENTS SEIKAGAKU KOGYO CO. LTD. (JP) 1984-06-12 US disclosed
US-4446312-A ANTICARCINOGENIC AGENTS, ANTICOAGULANTS SEIKAGAKU KOGYO CO., LTD. (JP) 1984-05-01 US disclosed
EP-0053827-A2 D-Xylopyranoside series compounds and therapeutical compositions containing same Seikagaku Kogyo Co. Ltd. (JP) 1982-06-16 EP disclosed
EP-0052340-A1 C-beta-D-Xylopyranoside series compounds and pharmaceutical compositions containing them Seikagaku Kogyo Co. Ltd. (JP) 1982-05-26 EP disclosed
JP-S5782386-A C-BETA-D-XYLOPYRANOSIDE COMPOUND SEIKAGAKU KOGYO CO LTD 1982-05-22 JP disclosed