SCHEMBL6567905

SCHEMBL6567905

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
IDO1 P14902 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8091400 0.97 L3MBTL1 (0.44) SIGMAR1TDP1L3MBTL1
SCHEMBL8090038 0.97 ABCB1 (0.39) HTR2AIDO1SIGMAR1TDP1L3MBTL1
SCHEMBL8090053 0.94 LTA4H (0.40) HTR2ASIGMAR1L3MBTL1
SCHEMBL7434046 0.92 TDP1 (0.51) SIGMAR1TDP1L3MBTL1
SCHEMBL8090170 0.89 TDP1 (0.49) SIGMAR1TDP1L3MBTL1
SCHEMBL8091379 0.88 HTR2A (0.35) HTR2AIDO1TDP1L3MBTL1
SCHEMBL8091559 0.87 TDP1 (0.48) TDP1L3MBTL1
SCHEMBL8091561 0.87 PTGER1 (0.49)
SCHEMBL7428315 0.86 KDM4E (0.41) TDP1
SCHEMBL8083513 0.86 HPGD (0.41) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
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
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO 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