SCHEMBL8708778

SCHEMBL8708778

c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(OCCOc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ LTA4H P09960 1/20 0.54
▸ BACE1 P56817 1/20 0.53
▸ FFAR1 O14842 1/20 0.53
▸ FFAR4 Q5NUL3 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.49
▸ LSS P48449 1/20 0.48
▸ PKM P14618 2/20 0.48
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ GGPS1 O95749 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL15672914 0.86 KCNA3 (0.64) KCNA3ALDH1A1RECQLLTA4HTAAR1
SCHEMBL10803113 0.83 LSS (0.64) KCNA3ALDH1A1RECQLLTA4HHRH3
SCHEMBL8670094 0.83 KCNA3 (0.67) KCNA3ALDH1A1RECQLTAAR1PKM
SCHEMBL27962 0.83 KCNA3 (0.82) KCNA3ALDH1A1RECQLLTA4HTAAR1
SCHEMBL28651037 0.82 GP6 (0.55) KCNA3ALDH1A1RECQLLTA4HBACE1
SCHEMBL28907057 0.82 LTA4H (0.55) LTA4HBACE1FFAR1FFAR4HRH3
SCHEMBL4320104 0.81 ALDH1A1 (0.69) ALDH1A1RECQLLTA4HBACE1FFAR1
SCHEMBL9770391 0.80 KCNA3 (0.70) KCNA3ALDH1A1RECQLLTA4HTAAR1
SCHEMBL4888278 0.79 LTA4H (0.57) ALDH1A1RECQLLTA4HBACE1FFAR1
SCHEMBL35210255 0.79 LTA4H (0.57) ALDH1A1RECQLLTA4HBACE1FFAR1

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
EP-0622245-B1 Thermal recording material JUJO PAPER CO LTD (JP) 1998-12-23 — — EP disclosed
EP-0838345-A1 Thermal recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-04-29 — — EP disclosed
US-5494882-A CONTAINING A DITHIOUREA COMPOUND NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-02-27 — — US disclosed
EP-0622245-A1 Thermal recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1994-11-02 — — EP disclosed
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