SCHEMBL4438197

SCHEMBL4438197

Cc1cc(C)c(B(O)O)c(-c2ccccc2)c1.[Li]C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
PSMB5 P28074 3/20 0.38
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
METAP2 P50579 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
BACE1 P56817 1/20 0.33
ALOX5 P09917 1/20 0.33
NUDT1 P36639 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MGLL Q99685 2/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL446622 0.92 ESR2 (0.47) ESR2PSMB5LMNASMN1; SMN2MCOLN3
SCHEMBL448143 0.73 CA2 (0.43) LMNACYP2A6ALDH1A1TSHRCA1
SCHEMBL431299 0.72 MGLL (0.48) ESR2SMN1; SMN2ALOX5MGLLALDH1A1
SCHEMBL28382574 0.71 RXRA (0.40) BACE1MGLLALDH1A1CA1CA2
SCHEMBL30255125 0.71 PDCD1 (0.44) ESR2SMN1; SMN2BACE1MGLLCYP2A6
SCHEMBL8986922 0.69 ESR2 (0.52) ESR2PSMB5LMNASMN1; SMN2MCOLN3
SCHEMBL24665564 0.68 MGLL (0.48) ESR2LMNASMN1; SMN2BACE1ALOX5
SCHEMBL9423370 0.68 PSMB5 (0.49) ESR2PSMB5LMNASMN1; SMN2MCOLN3
SCHEMBL19464511 0.67 HDAC7 (0.49) ESR2PSMB5LMNAMETAP2HDAC7
Water SCHEMBL19349803 0.66 PSMB5 (0.47) ESR2PSMB5LMNASMN1; SMN2MCOLN3

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-2121584-A2 NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008110308-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed