SCHEMBL26989684

SCHEMBL26989684

C=CCC1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)C1N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 3/20 0.47
▸ BCHE P06276 3/20 0.46
▸ SSTR4 P31391 3/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ GJA1 P17302 1/20 0.41
▸ TACR2 P21452 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ PDE4D Q08499 1/20 0.38
▸ SSTR5 P35346 1/20 0.38

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
SCHEMBL14001401 0.89 HTR1A (0.46) GJB2BCHESSTR4TACR2ACHE
SCHEMBL12612549 0.89 HTR1A (0.46) GJB2BCHESSTR4TACR2ACHE
SCHEMBL24119107 0.85 BCHE (0.50) GJB2BCHESSTR4SLC6A2GJA1
SCHEMBL6805976 0.83 GJB2 (0.55) GJB2SSTR4SLC6A2GJA1NT5E
SCHEMBL27424265 0.83 GJB2 (0.55) GJB2SSTR4SLC6A2GJA1NT5E
SCHEMBL19184864 0.82 GJB2 (0.51) GJB2BCHESSTR4SLC6A2GJA1
SCHEMBL1033002 0.81 HTR1A (0.49) BCHESSTR4TACR2ACHEHTR1A
SCHEMBL8733842 0.81 HTR1A (0.49) BCHESSTR4TACR2ACHEHTR1A
SCHEMBL21013401 0.81 HTR1A (0.49) BCHESSTR4TACR2ACHEHTR1A
SCHEMBL16229071 0.81 HTR1A (0.49) BCHESSTR4TACR2ACHEHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010959-A1 C-GLYCOSIDES AS ANTI-INFLAMMATORY AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-01-11 — — WO disclosed
Send feedback