SCHEMBL8671561

SCHEMBL8671561

c1ccc(OCCSCCOc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.64
ALDH1A1 P00352 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56
RECQL P46063 1/20 0.56
CHRNB2 P17787 2/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNA7 P36544 2/20 0.52
CHRNA4 P43681 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AR P10275 1/20 0.51
HTR1B P28222 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 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
SCHEMBL11300555 0.98 KCNA3 (0.61) KCNA3ALDH1A1TAAR1RECQLCHRNB2
SCHEMBL6535231 0.88 KCNA3 (0.68) KCNA3ALDH1A1TAAR1RECQLCHRNB2
SCHEMBL8748228 0.87 KCNA3 (0.54) KCNA3ALDH1A1TAAR1RECQLCHRNB2
SCHEMBL14499849 0.85 KCNA3 (0.64) KCNA3ALDH1A1TAAR1RECQLCHRNB2
SCHEMBL5641034 0.84 PLA2G4B (0.59) ALDH1A1LMNA
SCHEMBL3357696 0.84 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLHTR1B
SCHEMBL3266534 0.82 PKM (0.57) KCNA3ALDH1A1RECQLL3MBTL1HDAC1
SCHEMBL19542483 0.81 KCNA3 (0.58) KCNA3ALDH1A1TAAR1RECQLCHRNB2
SCHEMBL9808023 0.81 ALDH1A1 (0.61) KCNA3ALDH1A1TAAR1RECQLL3MBTL1
SCHEMBL28708338 0.81 KCNA3 (0.58) KCNA3ALDH1A1TAAR1RECQLCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827796-A Thermal recording material FUJI PHOTO FILM CO., LTD. (JP) 1998-10-27 US disclosed
US-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed
US-4855278-A Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-08-08 US disclosed
US-4835133-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-30 US disclosed