SCHEMBL2500228

SCHEMBL2500228

CCCCC(CC)Cc1[c]ccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
CYP3A4 P08684 2/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 5/20 0.36
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HTT P42858 3/20 0.33
TSHR P16473 2/20 0.33
GLA P06280 2/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
TACR3 P29371 1/20 0.32
KMT2A Q03164 3/20 0.31
DPP4 P27487 1/20 0.31
GAA P10253 3/20 0.31
MEN1 O00255 2/20 0.31
HTR1B P28222 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL2252836 0.77 GAA (0.39) ALDH1A1KDM4ELMNAL3MBTL1HTT
SCHEMBL19465407 0.76 MME (0.43) ALDH1A1CYP3A4CA2KDM4E
SCHEMBL4629536 0.75 KCNH2 (0.42) ALDH1A1KDM4ELMNAHTTGLA
SCHEMBL4629871 0.75 ELANE (0.35) ALDH1A1KDM4ELMNATSHRTDP1
SCHEMBL752073 0.75 ALDH1A1 (0.36) ALDH1A1CYP3A4CA2KDM4ELMNA
SCHEMBL5750528 0.74 KCNH2 (0.44) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL292073 0.74 KCNH2 (0.44) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL10760575 0.74 KCNH2 (0.44) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL2254077 0.74 KCNH2 (0.44) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL11754126 0.74 KCNH2 (0.44) ALDH1A1KDM4ELMNAHTTTSHR

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-8497334-B2 Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-30 US disclosed
US-20110245407-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed
CN-102206305-A Conjugated diene polymer,conjugated diene polymei composition, and method for producing conjugated diene polymer SUMITOMO CO LTD 2011-10-05 CN disclosed