SCHEMBL21021706

SCHEMBL21021706

CCc1ccc(C2C(c3cc(Cl)cc(Br)c3)C2(C)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SLC5A2 P31639 3/20 0.31
SLC5A1 P13866 2/20 0.31
CBX7 O95931 1/20 0.31
CDYL2 Q8N8U2 1/20 0.31
CDYL Q9Y232 1/20 0.31
CDY1; CDY1B Q9Y6F8 1/20 0.31
SLC9A1 P19634 2/20 0.31
ITGAL P20701 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21021176 0.75 MAPT (0.33) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL21022090 0.75 CNR2 (0.40) CNR1CNR2MAPTGAAALDH1A1
SCHEMBL21021246 0.71 NPC1 (0.32) MAPTHTT
SCHEMBL21021656 0.71 CNR1 (0.34) CNR1CNR2MAPTGAAALDH1A1
SCHEMBL21021712 0.69 SLC5A2 (0.36) CNR1CNR2MAPTGAAALDH1A1
SCHEMBL21021613 0.68 SLC9A1 (0.34) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL21020918 0.67 SLC5A2 (0.35) CNR1CNR2MAPTGAAALDH1A1
SCHEMBL257084 0.66 TSHR (0.38) CNR1CNR2MAPTGAAALDH1A1
SCHEMBL21021534 0.66 MAPT (0.36) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL21020924 0.65 ALOX5 (0.50) MAPTGAAALDH1A1SMN1; SMN2KDM4E

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed