SCHEMBL409641

SCHEMBL409641

O=c1c2ccc3sc4ccccc4c4ccc(c(=O)n1CCCCCO)c2c34

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
PARP1 P09874 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
GPR3 P46089 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
SCHEMBL14306505 0.90 GPR3 (0.39) TDP1ALDH1A1HPGDNPC1LMNA
SCHEMBL29366177 0.88 TDP1 (0.51) TDP1ALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL559250 0.88 TDP1 (0.51) TDP1ALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL24270358 0.85 FABP4 (0.49) TDP1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL13799551 0.85 TDP1 (0.57) TDP1ALDH1A1HPGDNPC1LMNA
SCHEMBL410109 0.83 LMNA (0.35) TDP1ALDH1A1HPGDNPC1LMNA
SCHEMBL410753 0.83 LMNA (0.35) TDP1ALDH1A1HPGDNPC1LMNA
SCHEMBL14281501 0.82 MEN1 (0.48) TDP1ALDH1A1HPGDNPC1RAB9A
SCHEMBL4600442 0.81 ALDH1A1 (0.60) TDP1ALDH1A1HPGDNPC1RAB9A
SCHEMBL13799553 0.81 MPO (0.47) TDP1ALDH1A1LMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8652723-B2 Toner particles comprising colorant-polyesters XEROX CORPORATION (US) 2014-02-18 US claimed
US-20120231386-A1 TONER PARTICLES COMPRISING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-09-13 US claimed
US-20120065359-A1 COLORANT-POLYESTERS AND METHODS OF PRODUCING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-03-15 US claimed
US-8652723-B2 Toner particles comprising colorant-polyesters XEROX CORPORATION (US) 2014-02-18 US disclosed
US-8652723-B2 Toner particles comprising colorant-polyesters XEROX CORPORATION (US) 2014-02-18 US disclosed
US-8652723-B2 Toner particles comprising colorant-polyesters XEROX CORPORATION (US) 2014-02-18 US disclosed
US-20120231386-A1 TONER PARTICLES COMPRISING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-09-13 US disclosed
US-20120231386-A1 TONER PARTICLES COMPRISING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-09-13 US disclosed
US-20120231386-A1 TONER PARTICLES COMPRISING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-09-13 US disclosed
US-20120065359-A1 COLORANT-POLYESTERS AND METHODS OF PRODUCING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-03-15 US disclosed
US-20120065359-A1 COLORANT-POLYESTERS AND METHODS OF PRODUCING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-03-15 US disclosed
US-20120065359-A1 COLORANT-POLYESTERS AND METHODS OF PRODUCING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-03-15 US disclosed