SCHEMBL9199539

SCHEMBL9199539

CC(=O)OC1=CCCc2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
ABCB11 O95342 1/20 0.39
F7 P08709 1/20 0.39
PARP1 P09874 1/20 0.39
F3 P13726 1/20 0.39
PARP10 Q53GL7 1/20 0.39
HSD17B3 P37058 4/20 0.36
PTAFR P25105 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
TYMS P04818 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
DUSP10 Q9Y6W6 1/20 0.33
HTT P42858 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL2064204 0.88 SRD5A1 (0.44) NOTUMABCB11HSD17B3PTAFRSRD5A1
SCHEMBL25945070 0.84 LMNA (0.40) NOTUMPARP1PARP10POLBMAPT
SCHEMBL15874888 0.82 KDM4C (0.40) NOTUMPARP1PARP10PTAFRSRD5A1
SCHEMBL29273746 0.81 MEN1 (0.41) F7PARP1F3PARP10POLB
SCHEMBL30641503 0.81 MEN1 (0.41) F7PARP1F3PARP10POLB
SCHEMBL27742187 0.81 MPO (0.44) NOTUMMAPT
SCHEMBL8500693 0.78 MAPT (0.44) PTAFRSRD5A1SRD5A2MAPTHTT
SCHEMBL15666971 0.73 SRD5A2 (0.46) NOTUMF7PARP1F3PARP10
SCHEMBL15874725 0.72 MPO (0.55) NOTUMMAPT
SCHEMBL3279430 0.71 F7 (0.43) NOTUMF7PARP1F3PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed