SCHEMBL9845071

SCHEMBL9845071

COCCC1(C)Oc2ccc(Br)cc2C(OC2=CC(=O)CC2)C1O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 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
SCHEMBL9736148 0.91 XIAP (0.32) XIAPSMN1; SMN2IDO1
SCHEMBL9845066 0.80 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL9737241 0.76 CA12 (0.36) SMN1; SMN2IDO1
SCHEMBL9736978 0.76 ABCC9 (0.43)
SCHEMBL9735702 0.74 PBRM1 (0.31) IDO1
SCHEMBL9443603 0.74 PBRM1 (0.34) SMN1; SMN2IDO1
SCHEMBL31060528 0.70 ABCC9 (0.53)
SCHEMBL9874273 0.70 ABCC9 (0.53)
SCHEMBL9736733 0.70 IDO1 (0.34) XIAPSMN1; SMN2IDO1
SCHEMBL9736155 0.69 XIAP (0.32) XIAPSMN1; SMN2IDO1

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-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed