SCHEMBL30132673

SCHEMBL30132673

NCC1CCOc2cc(Oc3ccc(Cl)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.48
MAP3K14 Q99558 1/20 0.43
KDM4C Q9H3R0 3/20 0.43
MAOB P27338 2/20 0.42
HTR1A P08908 1/20 0.39
FFAR1 O14842 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36

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
SCHEMBL20554359 1.00 PTGDR2 (0.48) PTGDR2MAP3K14KDM4CMAOBHTR1A
SCHEMBL17361600 0.88 KDM4C (0.53) PTGDR2KDM4CMAOBHTR1AFFAR1
SCHEMBL15818611 0.84 MAP3K14 (0.59) MAP3K14KDM4C
Hydrochloric Acid SCHEMBL9465292 0.83 MAP3K14 (0.58) MAP3K14KDM4C
Hydrochloric Acid SCHEMBL30299284 0.83 MAP3K14 (0.58) MAP3K14KDM4C
SCHEMBL30132538 0.82 PTGDR2 (0.47) PTGDR2MAP3K14KDM4CMAOB
SCHEMBL20554628 0.82 PTGDR2 (0.47) PTGDR2MAP3K14KDM4CMAOB
SCHEMBL8103275 0.81 HTR1A (0.56) KDM4CHTR1A
SCHEMBL20554061 0.80 MAP3K14 (0.70) PTGDR2MAP3K14KDM4CMAOB
Hydrochloric Acid SCHEMBL8112970 0.80 HTR1A (0.55) KDM4CHTR1A

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
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed