SCHEMBL9736167

SCHEMBL9736167

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(n2ccccc2=O)C1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.37
HIF1A Q16665 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
AKR1B1 P15121 2/20 0.35
ALPL P05186 1/20 0.35
TLR3 O15455 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL7269364 0.86 ABCC9 (0.48) ABCC9HIF1ALMNAALPL
SCHEMBL9143634 0.86 ABCC9 (0.48) ABCC9HIF1ALMNAALPL
SCHEMBL9143643 0.86 ABCC9 (0.48) ABCC9HIF1ALMNAALPL
SCHEMBL9736968 0.85 IDO1 (0.38) ABCC9SMN1; SMN2ALDH1A1
SCHEMBL9735412 0.85 ABCC9 (0.32) ABCC9DRD2HTR2ALMNA
SCHEMBL9735244 0.84 LMNA (0.36) ABCC9LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8203937 0.84 ABCC9 (0.38) ABCC9HIF1ALMNAMAPTSMN1; SMN2
SCHEMBL9738250 0.82 OPRM1 (0.36) ABCC9DRD2MAPTSMN1; SMN2
SCHEMBL9734831 0.82 ALOX5 (0.37) ABCC9SMN1; SMN2ALDH1A1
SCHEMBL8536595 0.82 ABCC9 (0.49) ABCC9LMNA

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