SCHEMBL9680937

SCHEMBL9680937

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(c2ccc[nH]c2=O)C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDGFRB P09619 1/20 0.35
JAK3 P52333 1/20 0.35
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
AKR1B1 P15121 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNE1 P15382 4/20 0.32
KCNQ1 P51787 4/20 0.32

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
SCHEMBL9680848 0.84 KCNE1 (0.46) ABCC9KDM4EGAAL3MBTL1KCNE1
SCHEMBL9682025 0.83 LMNA (0.34) ABCC9KDM4ELMNAL3MBTL1KCNE1
SCHEMBL9680855 0.83 KCNE1 (0.47) ABCC9LMNAHTTKCNE1KCNQ1
SCHEMBL9192059 0.82 KCNE1 (0.43) ABCC9GAALMNAALDH1A1L3MBTL1
SCHEMBL9193747 0.80 TYK2 (0.36) ABCC9
SCHEMBL9193528 0.80 ABCB1 (0.52) ABCC9KDM4EKMT2ALMNAMEN1
SCHEMBL9198494 0.79 ABCC9 (0.44) ABCC9KMT2AMAPTLMNAHTT
SCHEMBL9681478 0.78 ALOX5 (0.40) ABCC9L3MBTL1
SCHEMBL9197886 0.78 ABCC9 (0.42) ABCC9KMT2AMAPTAKR1B1LMNA
SCHEMBL9680959 0.76 ALDH1A1 (0.41) ABCC9KDM4EKMT2AMAPTSMN1; SMN2

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-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed
EP-0406656-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-01-09 EP disclosed