SCHEMBL9798804

SCHEMBL9798804

COC(=O)Oc1cc(O)n(-c2c(C)cccc2Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.35
LMNA P02545 2/20 0.34
MAPK11 Q15759 1/20 0.34
PDE4B Q07343 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
EPHB4 P54760 1/20 0.33
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RARG P13631 1/20 0.33
RORC P51449 1/20 0.33
SLC16A3 O15427 1/20 0.32
TP53 P04637 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
SCHEMBL10698208 0.83 PDE4B (0.42) MAPK14MAPK11PDE4BCNR1POLB
SCHEMBL10389842 0.80 ALDH1A1 (0.41) MAPK14CYP2C9CYP2C19KDM4EMEN1
SCHEMBL10701543 0.80 MEN1 (0.39) LMNAMEN1KMT2A
SCHEMBL10697955 0.77 ALDH1A1 (0.39) LMNAPOLBKDM4EMEN1KMT2A
SCHEMBL10701708 0.76 KDM4E (0.44) LMNAEPHB4POLBNOTUMCYP2C9
SCHEMBL2853643 0.71 PDE4B (0.43) MAPK14MAPK11PDE4BPOLBNOTUM
SCHEMBL163226 0.70 FABP3 (0.50) MAPTSLC16A3
SCHEMBL10388592 0.68 MALT1 (0.52) LMNAPOLBMEN1KMT2ATP53
SCHEMBL10388067 0.66 MAPK1 (0.48) LMNAPOLBKDM4EMEN1KMT2A
SCHEMBL15428664 0.65 EPHB4 (0.44) EPHB4NOTUMCYP2C9CYP2C19KDM4E

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
EP-0266569-B1 SOLVENT DYES WITH CARBOXYLIC-ACID FUNCTIONS BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
EP-0266569-A2 Solvent dyes with carboxylic-acid functions BASF Aktiengesellschaft (DE) 1988-05-11 EP disclosed