SCHEMBL8776769

SCHEMBL8776769

CCCCCCCCC(c1ccccc1)C(C)(C)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.37
MMP9 P14780 2/20 0.37
MMP3 P08254 2/20 0.37
MMP1 P03956 1/20 0.37
MMP14 P50281 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTR2A P28223 1/20 0.36
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
NAAA Q02083 2/20 0.35
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
ATM Q13315 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
Water SCHEMBL11436136 0.78 HTR2A (0.43) MMP2MMP9MMP3MMP1MMP14
Water SCHEMBL11426010 0.78 HTR2A (0.43) MMP2MMP9MMP3MMP1MMP14
Water SCHEMBL9280344 0.78 MMP2 (0.42) MMP2MMP9MMP3MMP1MMP14
Water SCHEMBL11427333 0.78 HTR2A (0.43) MMP2MMP9MMP3MMP1MMP14
Water SCHEMBL11427942 0.78 HTR2A (0.43) MMP2MMP9MMP3MMP1MMP14
Water SCHEMBL11430588 0.78 HTR2A (0.43) MMP2MMP9MMP3MMP1MMP14
Water SCHEMBL11425653 0.78 HTR2A (0.43) MMP2MMP9MMP3MMP1MMP14
Water SCHEMBL11425621 0.78 HTR2A (0.43) MMP2MMP9MMP3MMP1MMP14
SCHEMBL11348159 0.78 MEN1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL31320367 0.78 ADRB2 (0.39) MMP2MMP9MMP3MMP1MMP14

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
EP-0598836-B1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED SIGNAL INC (US) 1997-10-15 EP disclosed
EP-0598836-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL. ALLIED SIGNAL INC (US) 1994-06-01 EP disclosed
WO-1993004117-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED-SIGNAL INC. (US) 1993-03-04 WO disclosed