SCHEMBL9550392

SCHEMBL9550392

CO/C=C(/C(=O)OC)c1cccc2cc(C(C)(C)C)oc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPK14 Q16539 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9550466 0.89 MAPT (0.34) ERAP1HSD17B10LMNACA12CA1
SCHEMBL9550471 0.85 HSD17B10 (0.32) ERAP1HSD17B10LMNACA12CA1
SCHEMBL9550411 0.81 MAPT (0.38) HSD17B10LMNACA12CA1CA2
SCHEMBL9550364 0.81 ERAP1 (0.32) ERAP1HSD17B10LMNACA12CA1
SCHEMBL8907104 0.80 ALDH1A1 (0.44) ERAP1HSD17B10LMNACA12CA1
SCHEMBL9550484 0.80 MAOA (0.47) ERAP1HSD17B10LMNAKMT2AMEN1
SCHEMBL9550450 0.78 MAPT (0.36) HSD17B10CA12CA1CA2CA3
SCHEMBL9550507 0.78 ERAP1 (0.47) ERAP1LMNAKMT2AKDM4EMEN1
SCHEMBL9368976 0.77 NTRK1 (0.49) ERAP1HSD17B10KMT2AKDM4EMEN1
SCHEMBL9550388 0.77 TLR8 (0.39) ADORA2AADORA2B

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-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed