SCHEMBL9740284

SCHEMBL9740284

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(n2ccccc2=O)C1(C)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1B1 P15121 2/20 0.32
KMT2A Q03164 3/20 0.32
HIF1A Q16665 1/20 0.31
ABCC9 O60706 1/20 0.31
RECQL P46063 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
CACNA1C Q13936 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 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
SCHEMBL9740635 0.85 IDO1 (0.35) SMN1; SMN2
SCHEMBL8084249 0.85 HIF1A (0.35) ALDH1A1MAPTL3MBTL1AKR1B1KMT2A
SCHEMBL9736924 0.83 ABCC9 (0.40) LMNAKMT2AABCC9MEN1
SCHEMBL9735486 0.83 ALOX5 (0.36) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL9736167 0.81 ABCC9 (0.37) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL8184316 0.81 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL9735385 0.80 ABCC9 (0.39) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL8077034 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1AKR1B1
SCHEMBL8090748 0.76 MAPT (0.32) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL7269364 0.74 ABCC9 (0.48) LMNAHIF1AABCC9

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