SCHEMBL9344584

SCHEMBL9344584

CCc1ccccc1C(CC)(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
MGLL Q99685 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.33
RIPK1 Q13546 2/20 0.33

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
SCHEMBL10857065 0.85 GABRA1 (0.39) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL11806035 0.84 GABRA1 (0.44) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL28463979 0.82 LIPG (0.33) GABRA1GABRB2ALDH1A1
SCHEMBL9344023 0.80 GABRA1 (0.46) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL27532582 0.79 GABRA1 (0.44) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL11247243 0.79 HTR2A (0.42) L3MBTL1TP53
SCHEMBL16105766 0.78 GABRA1 (0.48) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL29120477 0.78 GABRA1 (0.48) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL18916830 0.78 GABRA1 (0.48) GABRA1GABRB2MGLLMAPTALDH1A1
SCHEMBL1521882 0.78 GABRA1 (0.48) GABRA1GABRB2MGLLMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085576-B A kind of pyridine amido chromium complex and its preparation method and application 华东理工大学 2017-12-22 CN disclosed
CN-107250172-A Modified conjugated diene polymer and its manufacture method and modified conjugated diene polymer composition 旭化成株式会社 2017-10-13 CN disclosed
CN-105085576-A Pyridinamine-based chromium complex and preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2015-11-25 CN disclosed
EP-0414207-B1 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-08-03 EP disclosed
US-5235115-A Selective ethylation of 2-alkoxy-naphthalene compounds AMOCO CORPORATION (US) 1993-08-10 US disclosed
US-5166419-A Multistage reaction by catalytic dehydrogenation and reaction with carbon monoxide NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-11-24 US disclosed
EP-0414207-A2 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-27 EP disclosed