SCHEMBL5383549

SCHEMBL5383549

C=Cc1ccc(CO)cc1C=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.33
XDH P47989 1/20 0.33
TSHR P16473 1/20 0.33
ENPP2 Q13822 1/20 0.33
ESRRB O95718 1/20 0.33
ESR1 P03372 1/20 0.33
ESRRA P11474 1/20 0.33
ESR2 Q92731 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL28883945 0.83 EGFR (0.56) EGFRHSD17B10RECQLXDHTSHR
SCHEMBL17012159 0.81 ALDH1A1 (0.43) EGFRRECQLTTRALDH1A1HPGD
SCHEMBL31484571 0.81 HSD17B10 (0.40) EGFRHSD17B10ESR1ESR2MAPT
SCHEMBL15716290 0.81 EGFR (0.35) EGFRHSD17B10RECQLXDHTSHR
SCHEMBL20199977 0.78 ALDH1A1 (0.49) CA2TTRKDM4EMEN1ALDH1A1
SCHEMBL3972895 0.77 TRPA1 (0.41) EGFRHSD17B10TSHRKDM4EMEN1
SCHEMBL8345912 0.75 NPC1 (0.43) HSD17B10RECQLTSHRKDM4EMEN1
SCHEMBL1979135 0.75 PLAU (0.38) EGFRENPP2CA12CA2CA3
SCHEMBL4590318 0.75 ENPP2 (0.34) EGFRENPP2CA12CA2CA3
SCHEMBL927054 0.73 CSNK2A1 (0.41) EGFRTTRKDM4EMEN1ALDH1A1

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-7273911-B2 Self-adhesive addition-crosslinking silicone compositions WACKER CHEMIE AG (DE) 2007-09-25 US disclosed
US-20050042462-A1 Self-adhesive addition-crosslinking silicone compositions WACKER-CHEMIE GMBH (DE) 2005-02-24 US disclosed