SCHEMBL10692553

SCHEMBL10692553

COc1cccc([C@@H]2Oc3ccccc3[C@H]2CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
HIF1A Q16665 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP2C9 P11712 1/20 0.44
LMNA P02545 2/20 0.43
CYP19A1 P11511 1/20 0.42

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
SCHEMBL10692220 1.00 ATM (0.49) ATMALDH1A1KMT2AKDM4EMEN1
SCHEMBL10692539 1.00 ATM (0.49) ATMALDH1A1KMT2AKDM4EMEN1
SCHEMBL10694325 0.86 EDNRA (0.49) ATMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL10694317 0.86 EDNRA (0.49) ATMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL10694322 0.86 EDNRA (0.49) ATMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL10655154 0.82 ABCB1 (0.39) HTTCYP2C9
SCHEMBL10655141 0.82 ABCB1 (0.39) HTTCYP2C9
SCHEMBL10656603 0.82 ABCB1 (0.39) HTTCYP2C9
SCHEMBL10655166 0.82 ABCB1 (0.39) HTTCYP2C9
SCHEMBL10695009 0.82 ABCB1 (0.39) HTTCYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264234-A1 Novel benzofurans and a novel method of preparation EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-04-20 EP disclosed