SCHEMBL6281994

SCHEMBL6281994

CCC(C)(C)/C=C/c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RELA Q04206 2/20 0.42
MAOB P27338 1/20 0.42
EGFR P00533 1/20 0.39
CHAT P28329 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 3/20 0.38
TRPA1 O75762 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2789093 1.00 CYP2C19 (0.48) CYP2C19NPC1L3MBTL1RELAMAOB
SCHEMBL7127915 0.83 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1RELAMAOB
SCHEMBL7127921 0.83 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1RELAMAOB
SCHEMBL11093287 0.83 CYP2C19 (0.46) CYP2C19NPC1L3MBTL1RELAMAOB
SCHEMBL19130587 0.83 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1RELAMAOB
SCHEMBL2785212 0.81 CYP2C19 (0.47) CYP2C19NPC1L3MBTL1RELAMAOB
SCHEMBL31474474 0.79 HIF1A (0.47) CYP2C19NPC1RELAMAOBMEN1
SCHEMBL6567818 0.79 MAOB (0.50) CYP2C19NPC1L3MBTL1RELAMAOB
SCHEMBL2785211 0.79 EGFR (0.45) CYP2C19NPC1L3MBTL1RELAMAOB
SCHEMBL5633111 0.78 CYP2C19 (0.44) CYP2C19NPC1L3MBTL1RELAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20040220342-A1 Low-hygroscopicity low-birefringence resin compositions, molding material, sheet or film obtained therefrom, and optical part YAMASHITA YUKIHIKO (JP) 2004-11-04 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed