SCHEMBL7274014

SCHEMBL7274014

COc1ccc(Cc2cc(S)ccc2OC)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
DHFR P00374 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
CSF1R P07333 2/20 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
SCHEMBL7284246 0.83 CYP19A1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7284359 0.83 CYP2C9 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7282033 0.82 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7283731 0.79 LTA4H (0.47)
Perchlorate SCHEMBL7281329 0.78 CYP2C9 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7276516 0.77 LTA4H (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7274146 0.77 CSF1R (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Trifluoroacetic Acid SCHEMBL7285625 0.71 CSF1R (0.37) CYP2C9CYP2C19CSF1R
SCHEMBL2212520 0.70
SCHEMBL20458821 0.69 IDO1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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