SCHEMBL8862508

SCHEMBL8862508

CCCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3cc([N+](=O)[O-])ccc13)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
THRB P10828 5/20 0.44
LMNA P02545 5/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RECQL P46063 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
PKM P14618 2/20 0.44
PLIN1 O60240 1/20 0.44
TSHR P16473 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALPG P10696 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8682136 0.93 MAPT (0.41) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL8681962 0.89 MAPT (0.52) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL11786792 0.85 MAPT (0.57) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL12855110 0.85 MAPT (0.57) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL8862466 0.85 MAPT (0.49) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL14077766 0.81 SMN1; SMN2 (0.46) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL29823656 0.80 MAPT (0.55) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL11789014 0.80 MAPT (0.55) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL1408803 0.79 MAPT (0.42) MAPTSMN1; SMN2THRBLMNAGAA
SCHEMBL8688287 0.79 MAPT (0.47) MAPTSMN1; SMN2THRBLMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed