SCHEMBL6593076

SCHEMBL6593076

C=C1CCCC2CCCCC12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33

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
SCHEMBL13576631 1.00 ALDH1A1 (0.35) ALDH1A1NOS1NOS2NOS3
SCHEMBL11814389 0.95 NOS3 (0.33) NOS1NOS2NOS3
SCHEMBL4619843 0.92 ALDH1A1 (0.34) ALDH1A1NOS1NOS2NOS3
SCHEMBL6014090 0.90 ALDH1A1 (0.35) ALDH1A1NOS1NOS2NOS3
SCHEMBL7627448 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11348181 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL17913112 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL31406995 0.77 KDM4E (0.32)
SCHEMBL14401351 0.77
SCHEMBL28506582 0.73 NOS1 (0.32) ALDH1A1NOS1NOS2NOS3

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
CN-106029723-B Composition flexible with enhancing 莫门蒂夫性能材料股份有限公司 2019-07-09 CN claimed
CN-106029723-A Compositions with enhanced flexibility 莫门蒂夫性能材料股份有限公司 2016-10-12 CN claimed
EP-1230227-B1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS NOVARTIS AG (CH) 2004-06-23 EP claimed
CN-106488900-A Prins reaction on hindered substrates 弗门尼舍有限公司 2017-03-08 CN disclosed
CN-106029723-A Compositions with enhanced flexibility 莫门蒂夫性能材料股份有限公司 2016-10-12 CN disclosed
EP-1230227-B1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS NOVARTIS AG (CH) 2004-06-23 EP disclosed
US-6716865-B1 SUBSTITUTED AT THE 2 POSITION; A SULFAMATE BOUND VIA OXYGEN TO THE PHENYL PART OF THE RING STRUCTURE; SULFAMOYLATION; STEROID SULFATASE INHIBITOR, ACNE NOVARTIS AG (CH) 2004-04-06 US disclosed
EP-1230227-A1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS Novartis AG (CH) 2002-08-14 EP disclosed
WO-2001036398-A1 BENZOXA- AND BENZTHIAZOLES NOVARTIS AG (CH) 2001-05-25 WO disclosed
US-3971804-A ACARICIDES, FUNGICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed