SCHEMBL6770995

SCHEMBL6770995

CC(C)(C)[Si](C)(C)Oc1ccc(Br)cc1.[MgH2]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.46
CA1 P00915 5/20 0.45
CA9 Q16790 5/20 0.45
CA12 O43570 4/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.35
CYP2A6 P11509 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
APLNR P35414 2/20 0.33
CA2 P00918 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL614621 0.98 PREP (0.47) PREPCA1CA9CA12ALDH1A1
SCHEMBL2607317 0.92 PREP (0.51) PREPCA1CA9CA12ALDH1A1
SCHEMBL6763899 0.89 PREP (0.53) PREPCA1CA9CA12ALDH1A1
SCHEMBL8647804 0.87 CA12 (0.42) PREPCA1CA9CA12ALDH1A1
SCHEMBL8647806 0.87 CA12 (0.42) PREPCA1CA9CA12ALDH1A1
SCHEMBL25351640 0.85 PREP (0.40) PREPCA1CA9CA12ALDH1A1
SCHEMBL24513630 0.84 KDM4E (0.53) PREPALDH1A1KDM4ERAB9AMAOB
SCHEMBL23491348 0.82 PREP (0.57) PREPCA1CA9CA12KDM4E
SCHEMBL20358470 0.82 PREP (0.49) PREPCA1CA9CA12ALDH1A1
SCHEMBL6158879 0.81 ALDH1A1 (0.41) PREPCA1CA9CA12ALDH1A1

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
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed