SCHEMBL7940494

SCHEMBL7940494

CCOc1ccc(CNc2n[nH]cc2CO)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
PDE4B Q07343 4/20 0.41
PDE3A Q14432 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
F7 P08709 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2467226 0.90 RECQL (0.53) RECQLKMT2APOLBMEN1PDE4B
SCHEMBL7418284 0.79 RECQL (0.47) RECQLKMT2AMEN1PDE4BPDE4A
SCHEMBL7376963 0.78 HTT (0.52) RECQLKMT2APOLBSMN1; SMN2MEN1
SCHEMBL7471407 0.75 PDE4B (0.50) RECQLKMT2APOLBMEN1PDE4B
SCHEMBL7412528 0.75 TPH1 (0.47) RECQLKMT2APOLBMEN1PDE4B
SCHEMBL6571638 0.74 POLB (0.50) RECQLPOLBPDE4BPDE4APDE4C
SCHEMBL7937749 0.73 TPH1 (0.51) RECQLKMT2APOLBMEN1PDE4B
SCHEMBL7415564 0.73 TPH1 (0.51) RECQLKMT2APOLBMEN1PDE4B
SCHEMBL7422273 0.72 RECQL (0.47) RECQLKMT2AMEN1PDE4BPDE4A
SCHEMBL7420665 0.72 PDE4B (0.48) RECQLPOLBPDE4BPDE4APDE4C

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
US-6248769-B1 ANTIINFLAMMATORY AGENT EURO-CELTIQUE S.A. (LU) 2001-06-19 US disclosed