SCHEMBL8675522

SCHEMBL8675522

O=C(O)c1ccccc1CCCc1ccccc1OCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.58
PTGER4 P35408 1/20 0.58
PTGER3 P43115 1/20 0.58
PTGER2 P43116 1/20 0.58
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
FOLH1 Q04609 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL8675205 0.87 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL8324213 0.84 PTGER1 (0.80) PTGER1PTGER4PTGER3PTGER2PTGES
SCHEMBL8675521 0.84 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL301122 0.83 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BTP53HTT
SCHEMBL20162476 0.83 FOLH1 (0.61) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL8677422 0.83 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL2446724 0.80 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BHTT
SCHEMBL8531492 0.80 LMNA (0.61) ALDH1A1KMT2A
SCHEMBL8698803 0.80 FOLH1 (0.58) ALDH1A1KMT2AFOLH1HTT
SCHEMBL11710027 0.80 FOLH1 (0.61) PTGER1PTGER4PTGER3PTGER2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed