SCHEMBL8091400

SCHEMBL8091400

COc1c(CCCCCc2ccccc2)[c]c(CCCc2ccccc2)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 9/20 0.43

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
SCHEMBL6567905 0.97 HTR2A (0.41) L3MBTL1TDP1SIGMAR1
SCHEMBL8090038 0.93 ABCB1 (0.39) L3MBTL1TDP1SIGMAR1
SCHEMBL8090053 0.90 LTA4H (0.40) L3MBTL1SIGMAR1
SCHEMBL7434046 0.89 TDP1 (0.51) L3MBTL1TDP1SIGMAR1
SCHEMBL8090170 0.86 TDP1 (0.49) L3MBTL1TDP1SIGMAR1
SCHEMBL9378975 0.85 HPGD (0.40) TDP1
SCHEMBL8091379 0.84 HTR2A (0.35) L3MBTL1TDP1
SCHEMBL8091559 0.84 TDP1 (0.48) L3MBTL1TDP1
SCHEMBL8091561 0.84 PTGER1 (0.49)
SCHEMBL8091417 0.83 HTR2A (0.38) SIGMAR1

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
US-6124328-A TREATING NERVE CELLS WITH A NEUROTROPHIC AGENT; PROMOTING REPAIR OF NEURONAL DAMAGE CAUSED BY DISEASE OR PHYSICAL TRAUMA VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-09-26 US disclosed
US-6037370-A TREATING ALZHEIMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, PARKINSON*S DISEASE, AND OTHER NERVOUS SYSTEM DISORDERS WITH PEPTIDE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-03-14 US disclosed