SCHEMBL7285487

SCHEMBL7285487

COc1ccc(Cc2cc(SC#N)ccc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 1/20 0.39
CNR2 P34972 1/20 0.38
IDO1 P14902 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL7274146 0.81 CSF1R (0.38) ALDH1A1MAPTPOLBTUBB4ATUBB
SCHEMBL30374775 0.77 CA2 (0.57) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL10338062 0.75 SLC6A4 (0.52) MAOBALDH1A1GAALTA4HCNR2
SCHEMBL469848 0.75 ALDH1A1 (0.52) MAOBMAOAALDH1A1MAPTPOLB
SCHEMBL11286798 0.74 CNR2 (0.50) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL3408344 0.73 AR (0.46) ALDH1A1MAPTPOLBCA2HSD17B10
SCHEMBL7283988 0.73 CALM1 (0.50) ALDH1A1LTA4HIDO1HPGD
SCHEMBL3892695 0.73 TDP1 (0.48) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL7276516 0.73 LTA4H (0.46) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL11170117 0.71 MEN1 (0.43) ALDH1A1MAPTKDM4EGAATDP1

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-5061798-A Intermediates in the formation of synthetic hormones, mimic effects of thyroid hormones; little or no effect on the heart SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-10-29 US disclosed
EP-0188351-B1 CHEMICAL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-03-13 EP disclosed
US-4910305-A Containing a protected 4-hydroxyphenyl SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-20 US disclosed
US-4826876-A WITHOUT EFFECT ON HEART SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-05-02 US disclosed
US-4766121-A NOT AFFECTING THE HEART SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1988-08-23 US disclosed
EP-0188351-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-07-23 EP disclosed