SCHEMBL28098156

SCHEMBL28098156

CC(C)(C)c1cccc(C(C)(C)C)c1O.CCCCCCCCCCCCCCCCOC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.49
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NR5A1 Q13285 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ F2R P25116 1/20 0.37
▸ SCN2A Q99250 1/20 0.36
▸ GSTA1 P08263 2/20 0.36
▸ GSTP1 P09211 2/20 0.36
▸ PLA2G4B P0C869 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 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
Pyrogallol SCHEMBL28264510 0.82 ESR1 (0.45) ALDH1A1TSHRLMNANR5A1ESR1
Ethoxycarbonyl Group SCHEMBL29018343 0.82 CA2 (0.59) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL15366000 0.80 CA2 (0.49) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL7900111 0.79 NAAA (0.58) CA2ALDH1A1TSHRLMNAKDM4E
SCHEMBL29157497 0.79 NAAA (0.58) CA2ALDH1A1TSHRLMNAKDM4E
Phenol SCHEMBL28178475 0.77 NR5A1 (0.50) ALDH1A1TSHRLMNAKDM4ENR5A1
Heptyl Formate SCHEMBL28150827 0.77 NR5A1 (0.50) ALDH1A1TSHRLMNAKDM4ENR5A1
Phenol SCHEMBL28074072 0.77 NR5A1 (0.50) ALDH1A1TSHRLMNAKDM4ENR5A1
Benzene SCHEMBL27331235 0.76 HCAR2 (0.41) CA2ALDH1A1TSHRLMNATP53
Hexyl Formate SCHEMBL28202778 0.76 HCAR2 (0.41) CA2ALDH1A1TSHRLMNATP53

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
CN-104494263-B A kind of high office electric discharge pressure photovoltaic back 杭州福斯特光伏材料股份有限公司 2016-08-24 — — CN claimed
CN-110016170-A A kind of low water vapor transmittance polyolefin elastomer glue film and preparation method 杭州福斯特应用材料股份有限公司 2019-07-16 — — CN disclosed
CN-109825025-A Outdoor furniture made from a kind of ABS composition, preparation method and combinations thereof 重庆鑫翎创福光电科技股份有限公司 2019-05-31 — — CN disclosed
CN-109796752-A A kind of anti-aging daiamid composition and preparation method thereof 重庆鑫翎创福光电科技股份有限公司 2019-05-24 — — CN disclosed
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