SCHEMBL9736155

SCHEMBL9736155

COCC1(C)Oc2ccc(Br)cc2C(OC2CCC(=O)C2)C1O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BACE1 P56817 2/20 0.31
IDO1 P14902 4/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2B P41595 1/20 0.30
HIF1A Q16665 1/20 0.30
PBRM1 Q86U86 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
SCHEMBL9737251 0.86 HSD17B10 (0.34) SMN1; SMN2IDO1MEN1ALDH1A1KMT2A
SCHEMBL9737720 0.86 TLR3 (0.34) SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9735711 0.81 ALDH1A1 (0.31) MEN1ALDH1A1KMT2A
SCHEMBL9736148 0.78 XIAP (0.32) XIAPSMN1; SMN2IDO1MEN1ALDH1A1
SCHEMBL9735180 0.74 HTR2B (0.33) XIAPSMN1; SMN2BACE1IDO1MEN1
SCHEMBL9736733 0.73 IDO1 (0.34) XIAPSMN1; SMN2IDO1SIRT2
SCHEMBL9736485 0.73 IDO1 (0.32) XIAPSMN1; SMN2IDO1
SCHEMBL9735574 0.72 BACE1 (0.32) BACE1MEN1ALDH1A1KMT2A
SCHEMBL26759016 0.72 MEN1 (0.34) IDO1SIRT2MEN1ALDH1A1KMT2A
SCHEMBL9736968 0.71 IDO1 (0.38) XIAPSMN1; SMN2IDO1ALDH1A1HTR2B

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed