SCHEMBL27909830

SCHEMBL27909830

O=C(c1ccccc1)c1cccc2c1O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.53
GAA P10253 3/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ATM Q13315 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CDC25B P30305 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
POLB P06746 1/20 0.42
SRD5A2 P31213 1/20 0.42
NR4A1 P22736 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL31391623 0.86 TRPA1 (0.41) GAAMAPTALDH1A1CDC25BSMN1; SMN2
SCHEMBL6530620 0.79 ALDH1A1 (0.50) AKR1C3MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL7002428 0.79 AKR1C3 (0.47) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL27343882 0.79 CTNNB1 (0.53) AKR1C3GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL6445212 0.78 CYP2C9 (0.53) AKR1C3MAPTALDH1A1L3MBTL1CDC25B
SCHEMBL10522326 0.78 AKR1C3 (0.50) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL27710338 0.78 ALDH1A1 (0.48) AKR1C3MAPTALDH1A1SMN1; SMN2POLB
Water SCHEMBL27710341 0.78 ALDH1A1 (0.48) AKR1C3MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL7200522 0.77 CYP1A2 (0.40) AKR1C3PKMNR4A1CYP2C9KMT2A
SCHEMBL29447165 0.76 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114197070-A Preparation method of ultra-high molecular weight polyethylene fiber 江苏高盛高分子新材料有限公司 2022-03-18 CN claimed
CN-109112688-B Ultraviolet-proof moisture-absorbing quick-drying yarn and production process and application thereof 浙江蓝天海纺织服饰科技有限公司 2020-12-22 CN claimed
CN-108950811-B Crease-resistant soft tooling fabric and production process thereof 浙江蓝天海纺织服饰科技有限公司 2020-06-02 CN claimed
CN-114197070-A Preparation method of ultra-high molecular weight polyethylene fiber 江苏高盛高分子新材料有限公司 2022-03-18 CN disclosed
CN-111944113-B Photoreaction type polyurethane associative thickener with benzophenone side group at end, preparation method and application thereof 华南理工大学 2021-07-20 CN disclosed
CN-111944113-B Photoreaction type polyurethane associative thickener with benzophenone side group at end, preparation method and application thereof 华南理工大学 2021-07-20 CN disclosed
CN-109112688-B Ultraviolet-proof moisture-absorbing quick-drying yarn and production process and application thereof 浙江蓝天海纺织服饰科技有限公司 2020-12-22 CN disclosed
CN-111944113-A Photoreaction type polyurethane associative thickener with benzophenone side group at end, preparation method and application thereof 华南理工大学 2020-11-17 CN disclosed
CN-111944113-A Photoreaction type polyurethane associative thickener with benzophenone side group at end, preparation method and application thereof 华南理工大学 2020-11-17 CN disclosed
CN-108950811-B Crease-resistant soft tooling fabric and production process thereof 浙江蓝天海纺织服饰科技有限公司 2020-06-02 CN disclosed
CN-110636846-A Quinazoline pyrazole derivatives for the treatment of cancer related diseases 艾库斯生物科学有限公司 2019-12-31 CN disclosed
CN-110612100-A Quinazoline-pyridine derivatives for the treatment of diseases associated with cancer 艾库斯生物科学有限公司 2019-12-24 CN disclosed
CN-103193899-B Hydrogen-abstraction compound photoinitiator and preparation method thereof UNIV CHANGZHOU 2015-07-01 CN disclosed
CN-103193900-B Polymerizable benzophenone photoinitiator and preparation method thereof UNIV CHANGZHOU 2014-12-17 CN disclosed
CN-103193899-A Hydrogen-abstraction compound photoinitiator and preparation method thereof UNIV CHANGZHOU 2013-07-10 CN disclosed
CN-103193900-A Polymerizable benzophenone photoinitiator and preparation method thereof UNIV CHANGZHOU 2013-07-10 CN disclosed