SCHEMBL18545874

SCHEMBL18545874

O=C(O)c1ccc2ccc(Oc3ccc4ccc(C(=O)O)cc4c3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
AKR1C3 P42330 1/20 0.53
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
KMO O15229 1/20 0.49
SRD5A2 P31213 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHEK2 O96017 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL8080613 0.94 KDM4E (0.69) KDM4EAKR1C3PARP15PARP10KMO
SCHEMBL9781486 0.92 KDM4E (0.67) KDM4EAKR1C3PARP15PARP10KMO
SCHEMBL8736492 0.87 KDM4E (0.63) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL24413696 0.85 KDM4E (0.59) KDM4EAKR1C3PARP15PARP10KMO
SCHEMBL2311164 0.85 KDM4E (0.59) KDM4EAKR1C3PARP15PARP10SRD5A2
SCHEMBL20032317 0.85 KDM4E (0.59) KDM4EAKR1C3PARP15PARP10SRD5A2
SCHEMBL28025 0.85 KDM4E (0.59) KDM4ESRD5A2MEN1KMT2AMAPT
SCHEMBL29406959 0.85 KDM4E (0.59) KDM4ESRD5A2MEN1KMT2AMAPT
SCHEMBL1145072 0.85 KDM4E (0.93) KDM4EAKR1C3RXRAMEN1KMT2A
SCHEMBL6405694 0.85 SRD5A2 (0.65) KDM4EAKR1C3PARP15PARP10SRD5A2

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-9971247-B2 Pattern-forming method OSAKA UNIVERSITY (JP) 2018-05-15 US disclosed
US-20170052450-A1 PATTERN-FORMING METHOD OSAKA UNIVERSITY (JP) 2017-02-23 US disclosed