SCHEMBL11092965

SCHEMBL11092965

Cc1ccccc1C1=C(OC(=O)OC2=C(c3ccccc3C)C(=O)CC3(CCCC3)C2)CC2(CCCC2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTR1A P08908 2/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ GALR1 P47211 1/20 0.35
▸ PLA2G7 Q13093 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ BCHE P06276 1/20 0.31

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
SCHEMBL11126029 0.75 MEN1 (0.33) SMN1; SMN2TSHRHSD11B1
SCHEMBL11094467 0.72 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL11125226 0.71 SMN1; SMN2 (0.34) SMN1; SMN2HTR1AADRA1B
SCHEMBL11096938 0.69 HTR1A (0.32) SMN1; SMN2HTR1AADRA1B
SCHEMBL10079774 0.69 ALDH1A1 (0.37) SMN1; SMN2HDAC4TSHR
SCHEMBL10079502 0.68 LMNA (0.36) SMN1; SMN2GALR1P2RX7
SCHEMBL11331757 0.68 LMNA (0.35) SMN1; SMN2GSK3B
SCHEMBL13263919 0.68 SMN1; SMN2 (0.35) SMN1; SMN2TSHR
SCHEMBL11093637 0.68 BRD4 (0.38) SMN1; SMN2
SCHEMBL10898897 0.67 NOTUM (0.41) SMN1; 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-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
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