SCHEMBL9734741

SCHEMBL9734741

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(N2CCCC2=O)C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.52
ABCC8 Q09428 2/20 0.52
KCNJ11 Q14654 2/20 0.52
KCNJ8 Q15842 2/20 0.52
LMNA P02545 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
NR1H4 Q96RI1 1/20 0.37
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL9130634 0.87 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9130641 0.87 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9130626 0.87 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9736439 0.85 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9202288 0.85 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL11098045 0.84 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL11098051 0.84 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL11098042 0.84 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8130869 0.83 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8130865 0.83 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8LMNA

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