SCHEMBL8680308

SCHEMBL8680308

CCC1(CC)c2ccccc2N(C)C12C=Cc1cc(OC)cc([N+](=O)[O-])c1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
RECQL P46063 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
THRB P10828 3/20 0.40
PLIN1 O60240 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 2/20 0.36
ALPG P10696 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8680598 0.90 MAPT (0.41) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL7681567 0.87 MAPT (0.49) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL8679954 0.84 MAPT (0.39) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL8681086 0.83 MAPT (0.38) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL8680080 0.81 MAPT (0.47) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL8679958 0.80 MEN1 (0.47) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL8680329 0.79 MEN1 (0.45) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL8679974 0.79 ALDH1A1 (0.33) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL8679997 0.79 MEN1 (0.55) MAPTGAASMN1; SMN2LMNARECQL
SCHEMBL8680992 0.79 MAPT (0.43) MAPTGAASMN1; SMN2LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
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