SCHEMBL8677652

SCHEMBL8677652

O=C(OCCCc1cc(F)ccc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.49
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
MTNR1B P49286 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MRGPRX4 Q96LA9 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 2/20 0.45
BCHE P06276 2/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL8676066 0.88 ESR1 (0.52) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8676387 0.88 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8675086 0.87 TDP1 (0.55) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8677570 0.86 PTGER1 (0.57) PTGER1MTNR1BTDP1MRGPRX4
SCHEMBL8678301 0.85 MTNR1B (0.50) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8675525 0.84 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8676076 0.84 MTNR1B (0.47) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8675232 0.83 MTNR1B (0.48) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8676390 0.83 MTNR1B (0.51) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8679914 0.83 MTNR1B (0.53) PTGER1PTGER4PTGER3PTGER2MTNR1B

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