SCHEMBL11554186

SCHEMBL11554186

O=C(O)Cc1cc(-c2ccc(F)cc2)c2cccoc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
POLB P06746 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MAPK14 Q16539 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL11560127 0.89 PTGS1 (0.47) PTGS1
SCHEMBL11706492 0.88 CAMK2A (0.38) HSD17B10PTGS1
SCHEMBL11703649 0.86 PTGDR2 (0.44) PTGDR2POLBCA12CA9KDM4E
SCHEMBL11702883 0.83 MMP2 (0.45) MMP1MMP2MMP3MMP9MMP12
SCHEMBL11700514 0.83 ALDH1A1 (0.41) PTGDR2POLBTP53SMN1; SMN2KDM4E
SCHEMBL11703426 0.83 FFAR4 (0.45) MMP12PTGDR2POLBKDM4EFFAR1
SCHEMBL11708525 0.82 PTGS2 (0.46) PTGDR2PTGS1
SCHEMBL11704685 0.82 PTGER1 (0.41) PTGS1MAPTNPC1MAPK1RAB9A
SCHEMBL11703886 0.81 PTGS1 (0.36) MMP1MMP2MMP3MMP9MMP12
SCHEMBL11707828 0.79 THRA (0.42) POLB

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
US-4153619-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1979-05-08 US disclosed
US-4124704-A ANTIMICROBIAL RIKER LABORATORIES, INC. (US) 1978-11-07 US disclosed
US-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed