SCHEMBL8091561

SCHEMBL8091561

COc1c(CCCc2ccccc2)[c]c(CCCc2ccc(C(=O)O)cc2)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
LPAR1 Q92633 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
RARB P10826 6/20 0.46
HDAC8 Q9BY41 1/20 0.46
RXRA P19793 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 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
SCHEMBL8091483 0.88 MRGPRX4 (0.48) PDE4APDE4BPDE4CPDE4DLPAR1
SCHEMBL6567905 0.87 HTR2A (0.41)
SCHEMBL8090038 0.84 ABCB1 (0.39)
SCHEMBL7434046 0.83 TDP1 (0.51) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL8090170 0.81 TDP1 (0.49) MEN1ALDH1A1KMT2A
SCHEMBL1982703 0.79 HDAC8 (0.67) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL8091379 0.76 HTR2A (0.35) ALDH1A1
SCHEMBL8091559 0.76 TDP1 (0.48)
SCHEMBL1980515 0.75 RARB (0.65) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL7428315 0.75 KDM4E (0.41) NPC1RAB9AALDH1A1

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