SCHEMBL10430558

SCHEMBL10430558

CCCCCCCCCC(c1ccccc1)C(C(=O)[O-])(c1ccccc1)c1ccccc1.CCCCCCCCCC(c1ccccc1)C(C(=O)[O-])(c1ccccc1)c1ccccc1.[Pb+2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
MMP2 P08253 4/20 0.40
MMP9 P14780 2/20 0.40
MMP3 P08254 2/20 0.40
MMP1 P03956 1/20 0.40
MMP14 P50281 1/20 0.40
ASAH1 Q13510 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ACER2 Q5QJU3 1/20 0.39
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
ATM Q13315 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
SCHEMBL10430737 1.00 NAAA (0.41) NAAAMMP2MMP9MMP3MMP1
SCHEMBL10430536 0.93 SOAT2 (0.43) CNR2
SCHEMBL11412628 0.91 NAAA (0.37) NAAAMMP2MMP9MMP3MMP1
SCHEMBL9815248 0.87 NAAA (0.43) NAAAMMP2MMP9MMP3MMP1
SCHEMBL27604017 0.87 NAAA (0.43) NAAAMMP2MMP9MMP3MMP1
SCHEMBL11763630 0.85 RIPK1 (0.43) MEN1KMT2ACNR2
SCHEMBL10424312 0.78 MMP2 (0.44) NAAAMMP2MMP9MMP3MMP1
SCHEMBL10521419 0.78 MEN1 (0.43) NAAAMMP2MMP9MMP3MMP1
SCHEMBL27886667 0.76 MEN1 (0.42) NAAAMMP2MMP9MMP3MMP1
SCHEMBL14768367 0.76 MEN1 (0.42) NAAAMMP2MMP9MMP3MMP1

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-4895881-A ANTIFOULING, POLYTETRAFLUOROETHYLENE, HALOGENATED HYDROCARBON, COPPER OR COMPOUND OF COPPER OR ZINC EXTENSOR AB (SE) 1990-01-23 US disclosed
US-4007258-A Sustained release pesticidal composition UNION CORPORATION (US) 1977-02-08 US disclosed
US-3990381-A Hydrophilic polymer coating for underwater structures NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US disclosed