SCHEMBL8675900

SCHEMBL8675900

O=C(OCCCc1ccc(Br)cc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGER1 P34995 10/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP1A2 P05177 1/20 0.43
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8675455 0.88 ESR1 (0.52) TDP1SLC6A2SLC6A3KMT2APTGER1
SCHEMBL8676387 0.85 PTGER1 (0.62) TDP1SLC6A2SLC6A3KMT2APTGER1
SCHEMBL8676634 0.84 MTNR1B (0.57) TDP1SLC6A2SLC6A3KMT2A
SCHEMBL8676445 0.83 MRGPRX4 (0.47) TDP1SLC6A2SLC6A3KMT2APTGER1
SCHEMBL8675525 0.82 PTGER1 (0.61) TDP1SLC6A2SLC6A3KMT2APTGER1
SCHEMBL8677127 0.81 RAB9A (0.56) KMT2A
SCHEMBL8676066 0.81 ESR1 (0.52) TDP1SLC6A2SLC6A3KMT2APTGER1
SCHEMBL8319623 0.80 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2CYP1A2
SCHEMBL8675086 0.80 TDP1 (0.55) TDP1SLC6A2SLC6A3KMT2APTGER1
SCHEMBL14552394 0.80 TDP1 (0.46) TDP1SLC6A2SLC6A3KMT2APTGER1

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