SCHEMBL12468790

SCHEMBL12468790

O=C(O)Cc1ccccc1OC1CCC=CCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.46
HRH1 P35367 6/20 0.44
CARM1 Q86X55 2/20 0.43
PRMT1 Q99873 2/20 0.43
AKR1B1 P15121 1/20 0.41
CHRM1 P11229 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
DGAT2 Q96PD7 1/20 0.39

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
SCHEMBL12985402 0.88 CXCL8 (0.53) CXCL8HRH1CARM1PRMT1AKR1B1
SCHEMBL11389529 0.81 HRH1 (0.65) CXCL8HRH1
Hydrochloric Acid SCHEMBL11402907 0.80 HRH1 (0.63) CXCL8HRH1
SCHEMBL899883 0.79 HRH1 (0.66) CXCL8HRH1CHRM1
SCHEMBL10793404 0.78 EPHX2 (0.48)
SCHEMBL10793407 0.78 EPHX2 (0.48)
SCHEMBL3405256 0.77 THRA (0.56) HRH1CARM1PRMT1
SCHEMBL7882768 0.75 CARM1 (0.48) HRH1CARM1PRMT1
SCHEMBL23881810 0.74 CARM1 (0.50) HRH1CARM1PRMT1
SCHEMBL3407088 0.74 FFAR4 (0.50) HRH1CARM1PRMT1

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
EP-2627358-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN Koninklijke Philips Electronics N.V. (NL) 2013-08-21 EP disclosed
WO-2012049624-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-04-19 WO disclosed