SCHEMBL2045558

SCHEMBL2045558

Cc1c(C2=CC=CC2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP2A6 P11509 4/20 0.46
CYP1A2 P05177 3/20 0.46
HSD17B10 Q99714 4/20 0.38
HPGD P15428 4/20 0.38
HIF1A Q16665 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPRT1 P00492 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 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
SCHEMBL783509 0.98 TSHR (0.44) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL9671120 0.83 DNMT1 (0.40) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL5696379 0.80 SLC6A3 (0.41) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL9268395 0.79 HPRT1 (0.48) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL6242909 0.79 SLC6A3 (0.40) TSHRCYP2A6CYP1A2HSD17B10RAB9A
SCHEMBL3191212 0.78 ERN1 (0.46) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL3192926 0.78 KDM4E (0.37) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL3204758 0.78 HSD17B10 (0.38) TSHRCYP2A6CYP1A2HSD17B10HPGD
SCHEMBL3207605 0.76 TSHR (0.31) TSHRCYP2A6HSD17B10CYP3A4ALDH1A1
SCHEMBL3199087 0.76 NCEH1 (0.43) TSHRCYP1A2HSD17B10HPGDRAB9A

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
EP-2328958-A1 USE OF POLYMERISABLE RESINS WITH LOW VACUUM DEGASSING FOR MAKING SPACE-GRADE COMPOSITE MATERIALS ASTRIUM SAS (FR) 2011-06-08 EP disclosed
WO-2010023217-A1 USE OF POLYMERISABLE RESINS WITH LOW VACUUM DEGASSING FOR MAKING SPACE-GRADE COMPOSITE MATERIALS ASTRIUM SAS (FR) 2010-03-04 WO disclosed