SCHEMBL9510673

SCHEMBL9510673

CC(=O)Oc1ccc2c(Cl)c(OC(C)=O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.51
KDM4E B2RXH2 5/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 4/20 0.46
GLA P06280 4/20 0.44
GAA P10253 4/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
FLT3 P36888 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAPDH P04406 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL27627375 0.91 NCEH1 (0.49) NCEH1KDM4ELMNAGLAPOLB
SCHEMBL4186794 0.84 KDM4E (0.50) NCEH1KDM4ECA12CA9LMNA
SCHEMBL3918327 0.82 TSHR (0.59) NCEH1KDM4ECA12CA9LMNA
SCHEMBL909309 0.82 KDM4E (0.56) KDM4ECA12CA9LMNAGLA
SCHEMBL10433173 0.80 KDM4E (0.54) KDM4ECA12CA9GLAGAA
SCHEMBL9506861 0.80 TUBB4A (0.50) KDM4ECA12CA9GLAGAA
SCHEMBL30595409 0.79 CA12 (0.65) KDM4ECA12CA9LMNAGLA
SCHEMBL3974361 0.79 CA12 (0.65) KDM4ECA12CA9LMNAGLA
SCHEMBL4194150 0.79 NCEH1 (0.48) NCEH1KDM4ECA12CA9LMNA
SCHEMBL9476254 0.78 KDM4E (0.50) KDM4ECA12CA9LMNAGAA

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
US-4892912-A DEPOLYMERIZATION THEN POLYMERIZING FRAGMENTS, ELASTICITY, MECHANICAL STRENGTH IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1990-01-09 US claimed
EP-0321691-B1 PROCESS FOR PRODUCING AROMATIC POLYESTER IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1993-09-29 EP disclosed
US-4892912-A DEPOLYMERIZATION THEN POLYMERIZING FRAGMENTS, ELASTICITY, MECHANICAL STRENGTH IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1990-01-09 US disclosed
EP-0321691-A2 Process for producing aromatic polyester IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1989-06-28 EP disclosed