SCHEMBL28172191

SCHEMBL28172191

CC(C)(C)c1cc2c(O)c(c1)Sc1cc(C(C)(C)C)cc(c1O)Sc1cc(C(C)(C)C)cc(c1O)Sc1cc(C(C)(C)C)cc(c1O)S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
CYP2C19 P33261 4/20 0.42
ALDH1A1 P00352 6/20 0.39
ALOX15 P16050 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TYR P14679 2/20 0.39
LMNA P02545 2/20 0.39
PTPRB P23467 1/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 3/20 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
SCHEMBL804619 0.72 GABRA1 (0.52) GABRA1GABRB2CYP2C19ALDH1A1ALOX15
SCHEMBL3872595 0.70 GABRA1 (0.57) GABRA1GABRB2CYP2C19ALDH1A1ALOX15
SCHEMBL201609 0.70 GABRA1 (0.57) GABRA1GABRB2CYP2C19ALDH1A1ALOX15
SCHEMBL28642307 0.70 ALDH1A1 (0.44) CYP2C19ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL22673417 0.70 ALDH1A1 (0.44) CYP2C19ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL28119481 0.69 GABRA1 (0.55) GABRA1GABRB2CYP2C19ALDH1A1ALOX15
Methane SCHEMBL27627234 0.69 GABRA1 (0.55) GABRA1GABRB2CYP2C19ALDH1A1ALOX15
SCHEMBL7930120 0.69 CHEK1 (0.56) GABRA1GABRB2CYP2C19ALDH1A1ALOX15
SCHEMBL35141 0.69 CA2 (0.67) GABRA1GABRB2CYP2C19ALDH1A1ALOX15
SCHEMBL13955247 0.69 POLB (0.40) GABRA1GABRB2LMNAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040781-A One-dimensional Tb (III) coordination polymer and preparation method and application thereof 中国科学院赣江创新研究院 2025-05-27 CN claimed
CN-119775586-A For the electroreduction of CO2Copper silver nanocluster material protected by thiacalix [4] arene and preparation method thereof 东北师范大学 2025-04-08 CN claimed
CN-118488769-A High-consistency coating method of perovskite film 华东理工大学 2024-08-13 CN claimed
CN-112980178-B Deformation-sensitive thermoplastic polyurethane elastomer composition and preparation method and application thereof 万华化学集团股份有限公司 2022-08-02 CN claimed
CN-120040781-A One-dimensional Tb (III) coordination polymer and preparation method and application thereof 中国科学院赣江创新研究院 2025-05-27 CN disclosed
CN-119775586-A For the electroreduction of CO2Copper silver nanocluster material protected by thiacalix [4] arene and preparation method thereof 东北师范大学 2025-04-08 CN disclosed
CN-117247552-A Mesoporous polyphosphazene microsphere and preparation method thereof 陕西中医药大学 2023-12-19 CN disclosed
CN-112980178-B Deformation-sensitive thermoplastic polyurethane elastomer composition and preparation method and application thereof 万华化学集团股份有限公司 2022-08-02 CN disclosed
CN-108484815-B Preparation method of ethylene-tetrafluoroethylene copolymer with high thermal stability 浙江巨化技术中心有限公司 2020-10-20 CN disclosed
CN-107129510-B Thia cup [4] arene derivatives modifying titanium dioxide and preparation method thereof 福建中烟工业有限责任公司 2019-08-30 CN disclosed
CN-107129510-A Thia cup [4] arene derivatives modifying titanium dioxide and preparation method thereof 福建中烟工业有限责任公司 2017-09-05 CN disclosed