SCHEMBL5071739

SCHEMBL5071739

C=CCOC(=O)c1ccccc1C(=O)OCC1CC2C=CC1C2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 7/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RHOA P61586 1/20 0.36
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL201988 0.79 CHRNB2 (0.56) ALDH1A1KDM4ETDP1
SCHEMBL203615 0.79 CDC25B (0.44) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL14435505 0.78 PPM1B (0.47) ALDH1A1TSHRKDM4ETDP1KMT2A
SCHEMBL4403504 0.78 PPM1B (0.47) ALDH1A1TSHRKDM4ETDP1KMT2A
SCHEMBL28105880 0.77 CYP3A4 (0.80) CYP3A4ALDH1A1TSHRHSD17B10CA1
SCHEMBL27474785 0.77 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL29362146 0.77 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL16371573 0.77 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL15174 0.77 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL417008 0.76 POLB (0.43) ALDH1A1TSHRKDM4ETDP1KMT2A

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-1655321-B1 POLYMERIZABLE COMPOSITIONS AND MOLDED ARTICLES PRODUCED BY USING THE SAME ZEON CORP (JP) 2012-11-21 EP disclosed
US-7381782-B2 Polymerizable composition and molded articles produced by using the same ZEON CORPORATION (JP) 2008-06-03 US disclosed
US-20060258828-A1 Polymerizable composition and molded articles produced by using the same ZEON CORPORATION (JP) 2006-11-16 US disclosed
EP-1655321-A1 POLYMERIZABLE COMPOSITIONS AND MOLDED ARTICLES PRODUCED BY USING THE SAME Zeon Corporation (JP) 2006-05-10 EP disclosed