SCHEMBL7795082

SCHEMBL7795082

CC(=O)C1=Cc2[c]cccc2C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 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
SCHEMBL2974118 0.74
SCHEMBL11556904 0.71 MAOA (0.49) NOTUMMTNR1AMTNR1BNPC1RAB9A
SCHEMBL7790791 0.64
SCHEMBL22635768 0.64 CYP11B1 (0.37)
SCHEMBL17241706 0.63
SCHEMBL7795107 0.62 NOTUM (0.32) NOTUMNPC1RAB9AKDM4EALDH1A1
SCHEMBL8104862 0.61 CYP1A2 (0.31)
SCHEMBL9058873 0.60 MAOA (0.41) NOTUMMTNR1ANPC1RAB9AKDM4E
SCHEMBL15009454 0.59 NOTUM (0.57) NOTUMALDH1A1
SCHEMBL709851 0.58 TRPA1 (0.36)

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-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed