SCHEMBL7353598

SCHEMBL7353598

O=C(O)[C@H]1O[C@H]1COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ SLC6A2 P23975 2/20 0.41
▸ TACR2 P21452 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ AGTR2 P50052 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PDE4D Q08499 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
SCHEMBL7353601 1.00 TSHR (0.45) TSHRLMNANT5ESLC6A2TACR2
SCHEMBL7353615 1.00 TSHR (0.45) TSHRLMNANT5ESLC6A2TACR2
SCHEMBL7353619 1.00 TSHR (0.45) TSHRLMNANT5ESLC6A2TACR2
SCHEMBL7352663 0.87 F13A1 (0.43) TSHRLMNANT5ESLC6A2TACR2
SCHEMBL7349178 0.87 F13A1 (0.43) TSHRLMNANT5ESLC6A2TACR2
SCHEMBL7349182 0.87 F13A1 (0.43) TSHRLMNANT5ESLC6A2TACR2
SCHEMBL7352667 0.87 F13A1 (0.43) TSHRLMNANT5ESLC6A2TACR2
SCHEMBL8723296 0.84 NT5E (0.53) NT5ETACR2
SCHEMBL21332726 0.82 NT5E (0.46) NT5ETACR2
SCHEMBL30712002 0.82 NT5E (0.48) NT5ETACR2

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
US-6153589-A FOR TREATING VIRAL INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-11-28 — — US disclosed
US-5190969-A Epoxy derivatives of amino acids as viricides for treatment of HIV infections THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1993-03-02 — — US disclosed
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