SCHEMBL9736733

SCHEMBL9736733

COCC1(C)Oc2ccc(Br)cc2C(Oc2cc[nH]c(=O)c2)C1O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
XIAP P98170 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
SIRT2 Q8IXJ6 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
SCHEMBL9735584 0.85 ALOX5 (0.34) IDO1SMN1; SMN2LMNA
SCHEMBL9735568 0.85 MAPT (0.35) SMN1; SMN2LMNAMAPK1
SCHEMBL9200740 0.85 ABCC9 (0.41) LMNA
SCHEMBL9735552 0.80 IDO1 (0.32) IDO1
SCHEMBL9736485 0.79 IDO1 (0.32) IDO1SMN1; SMN2XIAPTP53
SCHEMBL9736148 0.78 XIAP (0.32) IDO1SMN1; SMN2XIAP
SCHEMBL9735180 0.74 HTR2B (0.33) IDO1SMN1; SMN2XIAP
SCHEMBL9736155 0.73 XIAP (0.32) IDO1SMN1; SMN2XIAPSIRT2
SCHEMBL26759016 0.70 MEN1 (0.34) IDO1SIRT2
SCHEMBL9845071 0.70 XIAP (0.33) IDO1SMN1; SMN2XIAP

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed