SCHEMBL397225

SCHEMBL397225

C[C](C)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
F2 P00734 1/20 0.56
PLG P00747 1/20 0.56
PLAU P00749 1/20 0.56
KLKB1 P03952 1/20 0.56
KLK1 P06870 1/20 0.56
PRSS1 P07477 1/20 0.56
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EGFR P00533 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL8291387 0.81 F2 (0.63) CES2CES1F2PLGPLAU
SCHEMBL1554584 0.81 CES2 (0.56) CES2CES1F2PLGPLAU
SCHEMBL29521283 0.81 CES2 (0.56) CES2CES1F2PLGPLAU
SCHEMBL30999689 0.81 CES2 (0.56) CES2CES1F2PLGPLAU
SCHEMBL43058 0.81 ALDH1A1 (0.71) CES2CES1F2PLGPLAU
SCHEMBL30678318 0.81 ALDH1A1 (0.71) CES2CES1F2PLGPLAU
SCHEMBL5252901 0.81 CES2 (0.56) CES2CES1F2PLGPLAU
SCHEMBL29356637 0.81 ALDH1A1 (0.71) CES2CES1F2PLGPLAU
SCHEMBL7570852 0.79 CES2 (0.54) CES2CES1F2PLGPLAU
SCHEMBL28539564 0.79 CES2 (0.54) CES2CES1F2PLGPLAU

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 531 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560802-B Method for constructing carbon-nitrogen axis chiral indole-naphthol biaryl compound 常州大学 2023-08-22 CN claimed
CN-114560802-A Method for constructing carbon-nitrogen axis chiral indole-naphthol biaryl compound 常州大学 2022-05-31 CN claimed
CN-109694368-B Indolocarbazole tetraphthalene compounds 北京夏禾科技有限公司 2021-11-23 CN claimed
CN-112334456-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2021-02-05 CN claimed
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US claimed
CN-118344382-A Quinoid poly condensed ring compound and electroluminescent device containing same 华南理工大学 2024-07-16 CN disclosed
CN-118344350-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2024-07-16 CN disclosed
CN-118344405-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2024-07-16 CN disclosed
CN-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed
CN-118284272-A Organic electroluminescent device 北京夏禾科技有限公司 2024-07-02 CN disclosed
CN-118284273-A Organic electroluminescent device 北京夏禾科技有限公司 2024-07-02 CN disclosed
CN-118284277-A Electroluminescent device 北京夏禾科技有限公司 2024-07-02 CN disclosed
US-5491166-A ENZYME INHIBITORS, VIRICIDES ELI LILLY AND COMPANY (US) 1996-02-13 US disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed
EP-0604186-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
US-4910019-A Oxathiadiazole growth promoters AMERICAN HOME PRODUCTS CORPORATION (US) 1990-03-20 US disclosed
US-4452797-A FOR CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1984-06-05 US disclosed
US-4332801-A HYPOTENSIVE; CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
US-4305939-A HYPOTENSIVE CASSELLA AG (DE) 1981-12-15 US disclosed
US-4104036-A TO IMPROVE OCTANE RATING ATLANTIC RICHFIELD COMPANY (US) 1978-08-01 US disclosed