SCHEMBL4533282

SCHEMBL4533282

[O]CC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KIF11 P52732 6/20 0.46
KCNN4 O15554 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 3/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL27753815 0.78 KIF11 (0.54) KIF11KCNN4CYP2C19CYP2C9CYP11B1
SCHEMBL13455954 0.77 KIF11 (0.46) TSHRKIF11KCNN4ALDH1A1CYP2C19
SCHEMBL4277962 0.77 KCNN4 (0.41) TSHRKIF11KCNN4ALDH1A1CYP2C19
SCHEMBL28873040 0.75 KIF11 (0.50) TSHRKIF11KCNN4ALDH1A1CYP2C19
SCHEMBL1149158 0.75 KIF11 (0.64) TSHRKIF11KCNN4ALDH1A1CYP2C19
SCHEMBL4274982 0.74 KCNN4 (0.39) TSHRKIF11KCNN4ALDH1A1CYP2C19
SCHEMBL2653057 0.72 TSHR (0.50) TSHRKIF11KCNN4ALDH1A1CYP2C19
SCHEMBL2313147 0.72 TAAR1 (0.58) TSHRKCNN4ALDH1A1CYP2C19HIF1A
SCHEMBL32667360 0.72 KIF11 (0.54) TSHRKIF11KCNN4ALDH1A1CYP2C19
SCHEMBL7642588 0.72 CYP2C19 (0.46) TSHRKCNN4ALDH1A1CYP2C19HIF1A

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-109762167-A A kind of LED small-size chips heat conductive insulating die bond material and preparation method thereof 中国科学院深圳先进技术研究院 2019-05-17 CN claimed
CN-116635249-A Pneumatic tire 住友橡胶工业株式会社 2023-08-22 CN disclosed
CN-116635246-A Pneumatic tire 住友橡胶工业株式会社 2023-08-22 CN disclosed
CN-109762167-A A kind of LED small-size chips heat conductive insulating die bond material and preparation method thereof 中国科学院深圳先进技术研究院 2019-05-17 CN disclosed
CN-105131430-B Halogen-free flameproof Long Glass Fiber Reinforced PP Composite 贵州大学 2018-02-23 CN disclosed
US-20090155546-A1 FILM-FORMING COMPOSITION, METHOD FOR PATTERN FORMATION, AND THREE-DIMENSIONAL MOLD TOKYO OHKA KOGYO CO., LTD. (JP) 2009-06-18 US disclosed
EP-0830362-A4 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0830362-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1998-03-25 EP disclosed
WO-1996040693-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1995029912-A1 ERGOLINE DERIVATIVES AS ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-09 WO disclosed
EP-0643112-A2 Curable composition, thermal latent acid catalyst, method of coating, coated article, method of molding and molded article NOF CORPORATION (JP) 1995-03-15 EP disclosed