SCHEMBL6286628

SCHEMBL6286628

C=Cc1ccc(OCC(C)CCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
GPR88 Q9GZN0 14/20 0.43
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL1992997 0.86 CHRNB2 (0.50) CHRNB2CHRNA7CHRNB4CHRNA3CHRNA4
SCHEMBL31395590 0.83 ALDH1A1 (0.49) GPR88NPC1MTORTP53CYP3A4
SCHEMBL6281442 0.81 HIF1A (0.40) GPR88TP53MAPK1KDM4ELMNA
SCHEMBL6682144 0.81 CHRNB2 (0.45) CHRNB2CHRNA7CHRNB4CHRNA3CHRNA4
SCHEMBL408132 0.80 CHRNB2 (0.50) CHRNB2CHRNA7CHRNB4CHRNA3CHRNA4
SCHEMBL9797252 0.79 LMNA (0.60) CHRNB2CHRNA7CHRNB4CHRNA3CHRNA4
SCHEMBL6935832 0.79 CYP2C9 (0.49) GPR88CYP2C9CYP2C19KDM4EHPGD
Ammonia Solution, Strong SCHEMBL28712158 0.79 CHRNB2 (0.49) CHRNB2CHRNA7CHRNB4CHRNA3CHRNA4
SCHEMBL25378071 0.77 GPR88 (0.44) GPR88
SCHEMBL7785554 0.77 LTA4H (0.50) GPR88

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