SCHEMBL6522984

SCHEMBL6522984

O=C(O)CCc1cccc2c1-c1ccccc1C=CS2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.45
PTGER3 P43115 8/20 0.45
PTGER1 P34995 7/20 0.45
PTGER2 P43116 7/20 0.45
KEAP1 Q14145 1/20 0.36
FFAR1 O14842 6/20 0.36
FFAR4 Q5NUL3 4/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PARP1 P09874 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9632170 0.88 MTNR1A (0.34) PTGER4PTGER3PTGER1PTGER2
SCHEMBL11167641 0.77 ALDH1A1 (0.46)
SCHEMBL71453 0.69 PTGER4 (0.68) PTGER4PTGER3PTGER1PTGER2KEAP1
SCHEMBL563542 0.69 KDM4E (0.35)
SCHEMBL8875574 0.68 PTGER1 (0.54) PTGER4PTGER3PTGER1PTGER2KEAP1
SCHEMBL5154125 0.68 PTGER1 (0.54) PTGER4PTGER3PTGER1PTGER2KEAP1
SCHEMBL59198 0.67 KEAP1 (0.65) PTGER4PTGER3PTGER1PTGER2KEAP1
SCHEMBL6053663 0.67 PTGER4 (0.81) PTGER4PTGER3PTGER1PTGER2KEAP1
SCHEMBL28348523 0.65 PTGER4 (0.50) PTGER4PTGER3PTGER1PTGER2KEAP1
SCHEMBL31212507 0.65 PTGER4 (0.77) PTGER4PTGER3PTGER1PTGER2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2045483-A None JP disclosed
JP-2005247778-A METHOD FOR PRODUCING DIBENZOTHIEPINPROPIONIC ACID DERIVATIVE MAEKAWA SHIGEJI 2005-09-15 JP disclosed
JP-H0245483-A PREPARATION OF OPTICALLY ACTIVE DIBENZOTHIEPINPROPIONIC ACID NIPPON CHEMIPHAR CO LTD 1990-02-15 JP disclosed