SCHEMBL2496910

SCHEMBL2496910

CCOCCOc1[c]ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.43
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1B P28222 8/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
HTR1D P28221 2/20 0.33
MYC P01106 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL2502705 0.87 KMT2A (0.34) NCF1TSHRKDM4EMEN1ALDH1A1
SCHEMBL15411587 0.85 CNR1 (0.41) TSHRMEN1KMT2AHTR1BTDP1
SCHEMBL1452144 0.85 ALOX5 (0.37) TSHRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2498963 0.84 KDM1A (0.39) TSHRALDH1A1HTR1BHTR1DSLC6A4
SCHEMBL2253959 0.84 GAA (0.47) HTR1BTDP1HTR1DGAAL3MBTL1
SCHEMBL294076 0.81 CNR1 (0.45) KDM4EMEN1ALDH1A1KMT2AHTR1B
SCHEMBL14658506 0.81 CNR1 (0.45) KDM4EMEN1ALDH1A1KMT2AHTR1B
SCHEMBL891083 0.79 HTR1B (0.54) TSHRKDM4EALDH1A1HTR1BTDP1
SCHEMBL2495328 0.76 MYC (0.36) NCF1TSHRKDM4EALDH1A1HTR1B
SCHEMBL2502508 0.76 MAPT (0.34) TSHRKDM4EALDH1A1HTR1BTDP1

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 2 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