SCHEMBL27909331

SCHEMBL27909331

COOC(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 7/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CFTR P13569 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ATM Q13315 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GLA P06280 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 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
SCHEMBL2244750 0.90 ALDH1A1 (0.45) MAPTNPSR1TSHRALDH1A1TDP1
SCHEMBL4605817 0.85 ALDH1A1 (0.41) MAPTNPSR1TSHRALDH1A1TDP1
SCHEMBL1788233 0.85 TSHR (0.57) MAPTTSHRALDH1A1LMNAPOLB
SCHEMBL27898410 0.84 TSHR (0.46) MAPTTSHRALDH1A1TDP1LMNA
SCHEMBL220622 0.84 ALDH1A1 (0.58) MAPTNPSR1TSHRALDH1A1TDP1
SCHEMBL28043857 0.84 ALDH1A1 (0.39) MAPTNPSR1TSHRALDH1A1TDP1
SCHEMBL28808753 0.84 MAPT (0.41) MAPTNPSR1TSHRALDH1A1TDP1
SCHEMBL28065042 0.84 ALDH1A1 (0.39) MAPTNPSR1TSHRALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL28371090 0.83 TSHR (0.55) MAPTTSHRALDH1A1LMNAPOLB
SCHEMBL23529359 0.82 LMNA (0.59) MAPTTSHRALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102933366-B Integrated irradiation device 迈图高新材料有限责任公司 2016-12-21 — — CN disclosed
CN-102639494-B Sulphones and preparation and application thereof 扎夫根公司 2016-11-09 — — CN disclosed
CN-102933366-A Integrated irradiation device MOMENTIVE PERFORMANCE MAT INC 2013-02-13 — — CN disclosed
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