SCHEMBL21793728

SCHEMBL21793728

O=C(O)CCCCCCCC(=O)ONC(=O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 20/20 0.53
▸ TBXA2R P21731 1/20 0.51

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
SCHEMBL27889580 0.90 HDAC1 (0.54) TBXAS1
SCHEMBL27873273 0.85 HDAC1 (0.58) —
SCHEMBL27506504 0.84 HDAC3 (0.54) TBXA2R
SCHEMBL27889653 0.82 HDAC1 (0.53) —
SCHEMBL9829860 0.80 CYP2C9 (0.69) —
SCHEMBL10102744 0.80 CYP2C9 (0.69) —
SCHEMBL19246323 0.80 CYP2C9 (0.69) —
SCHEMBL21082071 0.79 HDAC1 (0.54) —
Azelaic Acid SCHEMBL28673360 0.79 F7 (0.71) TBXAS1TBXA2R
Azelaic Acid SCHEMBL5982892 0.79 F7 (0.71) TBXAS1TBXA2R

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-2020044136-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS AND SKIN DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2020-03-05 — — WO disclosed
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