SCHEMBL8370359

SCHEMBL8370359

COc1cc(CCCCCl)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.58
TUBB P07437 3/20 0.58
TUBA3C P0DPH7 3/20 0.58
TUBA1B P68363 3/20 0.58
TUBA4A P68366 3/20 0.58
TUBB4B P68371 3/20 0.58
TUBB3 Q13509 3/20 0.58
TUBB2A Q13885 3/20 0.58
TUBB8 Q3ZCM7 3/20 0.58
TUBA3E Q6PEY2 3/20 0.58
TUBA1A Q71U36 3/20 0.58
TUBA1C Q9BQE3 3/20 0.58
TUBB6 Q9BUF5 3/20 0.58
TUBB2B Q9BVA1 3/20 0.58
TUBB1 Q9H4B7 3/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
PTGS2 P35354 1/20 0.53
AOC3 Q16853 2/20 0.51

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
SCHEMBL9799524 0.94 HTR2A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7424861 0.90 HTR2A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10665105 0.86 HTR2A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27570422 0.84 TNKS2 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5514786 0.82 PTGS2 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10736060 0.82 AOC3 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4464142 0.81 HTR2A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23266383 0.81 TUBB1 (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10772012 0.81 PTGS2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10774727 0.81 PTGS2 (0.59) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8073357-A None JP disclosed
EP-0710482-B1 Therapeutic agent for myocardial ischemic damages or reperfusion injuries KOWA CO (JP) 1999-01-07 EP disclosed
US-5824675-A Preventive and therapeutic agent for kidney diseases KOWA CO., LTD. (JP) 1998-10-20 US disclosed
EP-0786254-A1 PREVENTIVE OR REMEDY FOR KIDNEY DISEASES KOWA CO. LTD. (JP) 1997-07-30 EP disclosed
US-5602123-A USING A BIS/PHENYLALKYL/PIPERAZINE SALT KOWA CO., LTD. (JP) 1997-02-11 US disclosed
EP-0710482-A2 Therapeutic agent for myocardial ischemic damages or reperfusion injuries KOWA COMPANY, LTD. (JP) 1996-05-08 EP disclosed
JP-H0873357-A THERAPEUTIC AGENT FOR SENILE DEMENTIA OR ALZHEIMER'S DISEASE KOWA CO 1996-03-19 JP disclosed
EP-0541798-B1 NEW DIAMINE COMPOUND AND BRAIN PROTECTING AGENT CONTAINING THE SAME KOWA CO (JP) 1995-11-29 EP disclosed
US-5389630-A Diamine compound and brain protecting agent containing the same KOWA CO., LTD. (JP) 1995-02-14 US disclosed
EP-0541798-A1 NEW DIAMINE COMPOUND AND BRAIN PROTECTING AGENT CONTAINING THE SAME Kowa Company Ltd. (JP) 1993-05-19 EP disclosed