SCHEMBL7273897

SCHEMBL7273897

COc1ccc(COc2cc(Sc3c(Cl)cc(C=O)cc3Cl)ccc2OC)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
HPGD P15428 3/20 0.40
PLK1 P53350 1/20 0.39
TACR2 P21452 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CSF1R P07333 5/20 0.38
CYP1A2 P05177 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

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
SCHEMBL16763046 0.74 TACR2 (0.64) ALDH1A1MAPTMEN1KMT2APDCD1
SCHEMBL16797053 0.70 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2APLK1
SCHEMBL7276444 0.70 MAPT (0.41) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7273774 0.69 CSF1R (0.40) CSF1RCYP2C9
SCHEMBL25236265 0.69 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2APLK1
SCHEMBL17894424 0.68 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2APDCD1
SCHEMBL7784719 0.68 PDCD1 (0.74) ALDH1A1MAPTMEN1KMT2APDCD1
SCHEMBL28950771 0.67 CSF1R (0.52) ALDH1A1MAPTMEN1KMT2APLK1
SCHEMBL28642697 0.66 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2APDCD1
SCHEMBL16797067 0.66 CSF1R (0.57) ALDH1A1MAPTMEN1KMT2APLK1

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