SCHEMBL4419192

SCHEMBL4419192

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.68
CYP46A1 Q9Y6A2 2/20 0.66
OSBP P22059 3/20 0.62
USP2 O75604 2/20 0.62
RORC P51449 2/20 0.62
LMNA P02545 1/20 0.62
ABCB1 P08183 1/20 0.62
OSBP2 Q969R2 1/20 0.62
NPC1L1 Q9UHC9 2/20 0.57
CYP1A2 P05177 1/20 0.56
NR1H3 Q13133 4/20 0.56
NPC1 O15118 1/20 0.55
GBA1 P04062 2/20 0.54
UGCG Q16739 2/20 0.54
GBA2 Q9HCG7 2/20 0.54
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
PLA2G2A P14555 1/20 0.52
EPHA2 P29317 1/20 0.52

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
SCHEMBL14674808 1.00 POLA1 (0.68) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL14684819 1.00 POLA1 (0.68) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL28361659 1.00 POLA1 (0.68) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL4419195 1.00 POLA1 (0.68) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL11874094 0.93 POLA1 (0.64) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL13885436 0.93 POLA1 (0.64) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL11874091 0.93 POLA1 (0.64) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL4432537 0.92 POLA1 (0.68) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL5888471 0.92 POLA1 (0.68) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL12695616 0.92 POLA1 (0.68) POLA1CYP46A1OSBPUSP2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111214701-A Implants for localized drug delivery and methods of use thereof 加利福尼亚大学董事会 2020-06-02 CN disclosed
CN-106573133-B Implants for localized drug delivery and methods of use thereof 加利福尼亚大学董事会 2020-03-03 CN disclosed
CN-106573133-A Implants for localized drug delivery and methods of use thereof 加利福尼亚大学董事会 2017-04-19 CN disclosed
WO-2015115589-A1 HALOGEN ATOM-SUBSTITUTED POLYMERIZABLE COMPOUND 日産化学工業株式会社 2015-08-06 WO disclosed
US-7514514-B2 Photoactive copolymer ROLIC AG (CH) 2009-04-07 US disclosed
CN-1281644-C Photoactive copolymer ROLIC AG (CH) 2006-10-25 CN disclosed
EP-1358234-B1 PHOTOACTIVE COPOLYMER ROLIC AG (CH) 2006-06-28 EP disclosed
US-7022331-B2 Thermochromic/photochromic cosmetic compositions Theisen, Lyle (US) 2006-04-04 US disclosed
US-20040138394-A1 Photoactive copolymer ROLIC AG (CH) 2004-07-15 US disclosed
CN-1501948-A Photoactive copolymer 2004-06-02 CN disclosed
EP-1358234-A1 PHOTOACTIVE COPOLYMER Rolic AG (CH) 2003-11-05 EP disclosed
US-20020192247-A1 Thermochromic/photochromic cosmetic compositions THEISEN LYLE (US) 2002-12-19 US disclosed
WO-2002053609-A1 PHOTOACTIVE COPOLYMER ROLIC AG (CH) 2002-07-11 WO disclosed
EP-1219651-A1 Photoactive copolymer Rolic AG (CH) 2002-07-03 EP disclosed
US-4060910-A Orientation system GELL JR HAROLD A 1977-12-06 US disclosed