Damsin

Damsin

SCHEMBL18642934

C=C1C(=O)OC2[C@H]1CC[C@H](C)[C@@H]1CCC(=O)[C@@]21C

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.55
▸ PAX8 Q06710 1/20 0.50
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ NLRP3 Q96P20 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ STAT6 P42226 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
Damsin SCHEMBL18642932 1.00 PTGS2 (0.55) PTGS2PAX8CYP3A4CYP2D6NLRP3
SCHEMBL21563386 0.75 PAX8 (0.50) PTGS2PAX8CYP3A4CYP2D6NLRP3
Ambrosin SCHEMBL3463663 0.73 MAPT (0.54) PTGS2PAX8CYP3A4CYP2D6NLRP3
Ambrosin SCHEMBL3463664 0.73 MAPT (0.54) PTGS2PAX8CYP3A4CYP2D6NLRP3
SCHEMBL29355617 0.73 PAX8 (0.45) PTGS2PAX8TDP1ALDH1A1MAPT
SCHEMBL18550778 0.69 PAX8 (0.47) PTGS2PAX8NLRP3MAPTPKM
Carpesiolin SCHEMBL23601537 0.69 MAPT (0.59) PTGS2PAX8TDP1ALDH1A1MAPT
Carpesiolin SCHEMBL21214080 0.69 MAPT (0.59) PTGS2PAX8TDP1ALDH1A1MAPT
Carpesiolin SCHEMBL10099626 0.69 MAPT (0.59) PTGS2PAX8TDP1ALDH1A1MAPT
Carpesiolin SCHEMBL6425398 0.69 MAPT (0.59) PTGS2PAX8TDP1ALDH1A1MAPT

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
US-20170071994-A1 MEDICINAL AMBROSIA MARITIMA EXTRACTS EL-SAWY MOHAMED FAKHR EL-DIN (EG) 2017-03-16 — — US disclosed
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