SCHEMBL8680688

SCHEMBL8680688

COc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(Br)ccc3O1)N2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
GAA P10253 4/20 0.53
THRB P10828 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.53
RECQL P46063 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
PKM P14618 2/20 0.53
PLIN1 O60240 1/20 0.53
TSHR P16473 1/20 0.53
PLIN5 Q00G26 1/20 0.53
ABHD5 Q8WTS1 1/20 0.53
NPSR1 Q6W5P4 3/20 0.53
ALPG P10696 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GFER P55789 1/20 0.50

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
SCHEMBL8681154 0.87 MAPT (0.53) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL8682721 0.85 MAPT (0.56) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL8681722 0.85 MAPT (0.56) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL8685194 0.84 MAPT (0.55) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL1890668 0.84 MEN1 (0.68) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL8684941 0.84 MAPT (0.41) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL8680078 0.83 MAPT (0.74) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL8684844 0.83 MAPT (0.41) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL30285358 0.83 MAPT (0.74) MAPTGAATHRBSMN1; SMN2MEN1
SCHEMBL4628824 0.83 MAPT (0.74) MAPTGAATHRBSMN1; SMN2MEN1

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