SCHEMBL3671259

SCHEMBL3671259

CCCc1cc(Cc2cc(CCC)c(CCC)c(I)c2N)c(N)c(I)c1CCC

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PDE4A P27815 1/20 0.30
ADRA1A P35348 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
NOS2 P35228 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL3674215 0.91 TLR8 (0.33) NOS2
SCHEMBL3674199 0.91 KDM4E (0.33)
SCHEMBL3670341 0.86 SKP2 (0.35) NOS2IKBKB
SCHEMBL3678215 0.81 IKBKB (0.33) CYP1A2HIF1ANOS2IKBKB
SCHEMBL3676615 0.79 ALDH1A1 (0.32) CYP1A2HIF1ANOS2IKBKB
SCHEMBL3674821 0.78 NOS2 (0.30) NOS2IKBKB
SCHEMBL3675789 0.77 DHFR (0.36) CHRM1TBXA2RPDE4AADRA1ALMNA
SCHEMBL3676817 0.74 ALDH1A1 (0.33) CYP1A2HIF1AIKBKB
SCHEMBL3804549 0.73 NOS2 (0.36) NOS2IKBKB
SCHEMBL3674256 0.73 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed