SCHEMBL17913079

SCHEMBL17913079

C1=C(C2CCCCC2)CC1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL28615998 0.73
SCHEMBL6909590 0.72 GAA (0.32)
SCHEMBL2353111 0.67
SCHEMBL29328358 0.64 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29209802 0.64 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1930004 0.64
SCHEMBL1051743 0.63 MAPT (0.35)
SCHEMBL31290727 0.60
SCHEMBL28927594 0.60 MAPT (0.41)
SCHEMBL1929753 0.60

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3242688-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2017-11-15 EP disclosed
WO-2016111834-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2016-07-14 WO disclosed