SCHEMBL3674983

SCHEMBL3674983

CCCCc1c(Cc2ccc(N)c(CCCCl)c2CCCC)ccc(N)c1CCCCl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.41
CTRC Q99895 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TYR P14679 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOS2 P35228 2/20 0.31
TLR8 Q9NR97 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TYMP P19971 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3670115 0.91 SKP2 (0.47) SKP2CTRCTYRCYP1A2CYP2C9
SCHEMBL3671803 0.88 SKP2 (0.42) SKP2CTRCTYRNOS2TLR8
SCHEMBL3674257 0.84 NOS2 (0.33) SKP2NOS2
SCHEMBL3674217 0.83 SKP2 (0.41) SKP2TYRNOS2TLR8NPC1
SCHEMBL3672397 0.83 SKP2 (0.45) SKP2TYRCYP1A2NOS2TLR8
SCHEMBL1239687 0.82 SKP2 (0.48) SKP2CTRCTSHRTDP1TYR
SCHEMBL3669804 0.81 SKP2 (0.46) SKP2CTRCTYRCYP1A2NOS2
SCHEMBL3675234 0.81 SKP2 (0.42) SKP2CTRCTYRNOS2TLR8
Iodide SCHEMBL5087267 0.80 SKP2 (0.47) SKP2CTRCTSHRTDP1TYR
Bromide SCHEMBL5091368 0.80 SKP2 (0.47) SKP2CTRCTSHRTDP1TYR

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