SCHEMBL20054325

SCHEMBL20054325

FC1(F)CC2CCCC2C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
APLNR P35414 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
SCHEMBL24538449 1.00 ALDH1A1 (0.35) ALDH1A1APLNR
SCHEMBL15114434 1.00 ALDH1A1 (0.35) ALDH1A1APLNR
SCHEMBL24538367 0.93 ALDH1A1 (0.44) ALDH1A1APLNR
SCHEMBL21427331 0.78 APLNR (0.42) APLNR
SCHEMBL26886742 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL25419059 0.76
SCHEMBL18781236 0.72
SCHEMBL14894040 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL29461894 0.67 APLNR (0.31) ALDH1A1APLNR
SCHEMBL31579155 0.67 APLNR (0.31) ALDH1A1APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129914-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
CN-105793266-B Spiro-oxazolones 豪夫迈·罗氏有限公司 2019-02-12 CN disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed