SCHEMBL28088611

SCHEMBL28088611

CCc1ccccc1C(O)(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.48
▸ GABRB2 P47870 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RIPK1 Q13546 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MGLL Q99685 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL3194195 0.83 GABRA1 (0.48) GABRA1GABRB2MAPTRIPK1ALDH1A1
SCHEMBL11311524 0.82 GABRA1 (0.52) GABRA1GABRB2MAPTALDH1A1NPSR1
Ammonia Solution, Strong SCHEMBL27927928 0.80 GABRA1 (0.47) GABRA1GABRB2HSP90AA1MAPTRIPK1
SCHEMBL12262668 0.80 GABRA1 (0.50) GABRA1GABRB2MAPTRIPK1ALDH1A1
SCHEMBL13463042 0.79 GABRA1 (0.41) GABRA1GABRB2HSP90AA1MAPTRIPK1
SCHEMBL27774934 0.78 GABRA1 (0.48) GABRA1GABRB2MAPTALDH1A1MGLL
SCHEMBL9344584 0.77 GABRA1 (0.46) GABRA1GABRB2MAPTRIPK1ALDH1A1
SCHEMBL17662688 0.76 GABRA1 (0.38) GABRA1GABRB2MAPTRIPK1ALDH1A1
SCHEMBL9308101 0.76 TSHR (0.54) GABRA1GABRB2HSP90AA1MAPTALDH1A1
SCHEMBL11806035 0.76 GABRA1 (0.44) GABRA1GABRB2MAPTRIPK1ALDH1A1

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-2025040241-A1 A SUNSCREEN COMPOSITION SYMRISE AG (DE) 2025-02-27 — — WO disclosed
CN-106146344-B Ethylene glycol is double(Propionitrile)The preparation method of ether 张家港瀚康化工有限公司 2018-03-06 — — CN disclosed
CN-104968704-B Process for producing polyarylate 三菱瓦斯化学株式会社 2016-12-14 — — CN disclosed
CN-106146344-A The preparation method of ethylene glycol bis (propionitrile) ether 张家港瀚康化工有限公司 2016-11-23 — — CN disclosed
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