SCHEMBL7777302

SCHEMBL7777302

COC(=O)c1cc2ccccc2c2c1C=CC(c1ccccc1)(c1ccc(N3CCCCC3)cc1)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HCRTR1 O43613 1/20 0.37
NPC1 O15118 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 5/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
AHR P35869 1/20 0.36
GFER P55789 1/20 0.36
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR6 P50406 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
DRD3 P35462 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
SCHEMBL7784131 0.91 MAPT (0.39) KMT2AMEN1HCRTR1NPC1KDM4E
SCHEMBL5549293 0.91 MAPT (0.39) KMT2AMEN1HCRTR1NPC1ALDH1A1
SCHEMBL7785460 0.90 MAPT (0.39) DHODHKMT2AMEN1HCRTR1NPC1
SCHEMBL891063 0.89 LRP6 (0.33) DHODHKMT2AMEN1HCRTR1NPC1
SCHEMBL29619307 0.89 DHODH (0.43) DHODHKMT2AMEN1NPC1KDM4E
SCHEMBL14629673 0.89 HIF1A (0.38) DHODHKMT2AMEN1NPC1KDM4E
SCHEMBL15693690 0.89 DHODH (0.35) DHODHKMT2AMEN1HCRTR1NPC1
SCHEMBL7473791 0.88 NPC1 (0.33) DHODHKMT2AMEN1HCRTR1NPC1
SCHEMBL12907868 0.88 HTR6 (0.36) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL26290022 0.88 KDM4E (0.45) KMT2AMEN1KDM4EALDH1A1NPSR1

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
EP-1140892-A1 PHOTOCHROMIC SUBSTIITUTED 2H-NAPHTHO[1,2-B]PYRANS JAMES ROBINSON LIMITED (GB) 2001-10-10 EP disclosed
WO-2000035902-A1 PHOTOCHROMIC SUBSTITUTED 2H-NAPHTHO[1,2-b]PYRANS JAMES ROBINSON LIMITED (GB) 2000-06-22 WO disclosed