SCHEMBL7241102

SCHEMBL7241102

COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc(C(C)Cc5ccccc5)ccc34)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.34
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ABCB11 O95342 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 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
SCHEMBL7254413 0.91 HIF1A (0.36) GRM2ALDH1A1HIF1AABCB11SMN1; SMN2
Benzene SCHEMBL7241108 0.90 LMNA (0.31) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7241920 0.88 MMP9 (0.31)
SCHEMBL3926851 0.86 DPP4 (0.36) ALDH1A1HIF1AL3MBTL1SMN1; SMN2
SCHEMBL7246685 0.85 RORC (0.36)
SCHEMBL2400659 0.82 KDM4E (0.38) ALDH1A1HIF1AL3MBTL1SMN1; SMN2
SCHEMBL13677583 0.82 HIF1A (0.34) ALDH1A1HIF1AL3MBTL1SMN1; SMN2
SCHEMBL7122482 0.81 DPP4 (0.35) ALDH1A1HIF1AL3MBTL1SMN1; SMN2BACE1
Benzene SCHEMBL7254417 0.79 AKR1C3 (0.34) HIF1AL3MBTL1ABCB11SMN1; SMN2
SCHEMBL7253577 0.79 MMP9 (0.35) ALDH1A1HIF1ASMN1; SMN2

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-6627121-B1 Plastic lenses; high optical density on photoactivation; high fatigue resistance; fast decoloration in dark YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-09-30 US disclosed