SCHEMBL8090170

SCHEMBL8090170

COc1ccc(CCc2[c]c(CCCc3ccccc3)c(OC)c(OC)c2OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
CALM1 P0DP23 1/20 0.47
LTA4H P09960 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45

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
SCHEMBL7434046 0.97 TDP1 (0.51) TDP1L3MBTL1ALDH1A1SIGMAR1CALM1
SCHEMBL8090038 0.93 ABCB1 (0.39) TDP1L3MBTL1SIGMAR1ABCB1
SCHEMBL6567905 0.89 HTR2A (0.41) TDP1L3MBTL1SIGMAR1
SCHEMBL8091400 0.86 L3MBTL1 (0.44) TDP1L3MBTL1SIGMAR1
SCHEMBL8090053 0.84 LTA4H (0.40) L3MBTL1SIGMAR1LTA4HMEN1KMT2A
SCHEMBL5632470 0.81 LTA4H (0.69) TDP1L3MBTL1ALDH1A1SIGMAR1CALM1
SCHEMBL8091561 0.81 PTGER1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL8098123 0.80 MEN1 (0.42) CALM1LTA4HABCB1ALOX5MEN1
SCHEMBL8091379 0.78 HTR2A (0.35) TDP1L3MBTL1ALDH1A1
SCHEMBL8091559 0.78 TDP1 (0.48) TDP1L3MBTL1

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