Sugi Predict

Sugi Predict / Compounds / SCHEMBL28534124

SCHEMBL28534124

SCHEMBL28534124

COc1ccc(C2CCCN2C2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.53
▸ TSHR P16473 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL13660581 0.95 ALDH1A1 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL4295594 0.95 ALDH1A1 (0.55) ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL10770146 0.94 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ENPSR1HSD17B10
SCHEMBL13660536 0.91 HRH3 (0.55) ALDH1A1TSHRKDM4ENPSR1HSD17B10
SCHEMBL4295391 0.91 HRH3 (0.55) ALDH1A1TSHRKDM4ENPSR1HSD17B10
SCHEMBL4295384 0.91 HRH3 (0.55) ALDH1A1TSHRKDM4ENPSR1HSD17B10
SCHEMBL4295389 0.91 HRH3 (0.55) ALDH1A1TSHRKDM4ENPSR1HSD17B10
SCHEMBL4295387 0.91 HRH3 (0.55) ALDH1A1TSHRKDM4ENPSR1HSD17B10
SCHEMBL13660580 0.85 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ENPSR1HSD17B10
SCHEMBL1764441 0.79 HRH3 (0.51) ALDH1A1KDM4ENPSR1HRH3

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
CN-112243440-A Hexahydroxypyrrolo [3,4-c ] pyrrole derivatives useful as LOX inhibitors 癌症研究协会皇家癌症医院 2021-01-19 — — CN disclosed