SCHEMBL9436675

SCHEMBL9436675

C=C(CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.55
MMP3 P08254 5/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6518366 0.92 HDAC1 (0.50) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL9412044 0.90 MMP2 (0.53) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL8939351 0.90 MMP2 (0.67) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL4846755 0.86 MMP3 (0.65) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL3849333 0.86 MMP2 (0.59) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL4408915 0.85 HDAC1 (0.66) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL1274377 0.85 HDAC1 (0.66) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL8939368 0.84 MMP2 (0.73) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL3275879 0.83 MMP2 (0.56) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL13632500 0.83 MMP2 (0.56) MMP2MMP3HDAC1HDAC2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474713-B1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS BASF AG (DE) 1994-09-07 EP disclosed
EP-0290591-B1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK PATENT GmbH (DE) 1991-03-13 EP disclosed
EP-0308444-A1 PYRROL 1.2-b]AZINES MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed
EP-0290591-A1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS. MERCK PATENT GMBH (DE) 1988-11-17 EP disclosed
WO-1988007702-A1 PYRROL [1.2-b]AZINES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed
WO-1988004305-A1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-06-16 WO disclosed