SCHEMBL8516931

SCHEMBL8516931

CCCCCCC(c1ccccc1)C(OC(c1ccccc1)(c1ccccc1)C(CCCCCC)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 2/20 0.38
HTR2A P28223 1/20 0.38
SLC2A1 P11166 1/20 0.37
CSNK1E P49674 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
NAAA Q02083 2/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL8023300 0.87 MEN1 (0.38) MEN1KMT2AATMMMP2MMP3
SCHEMBL11877776 0.87 MMP2 (0.38) MEN1KMT2AATMMMP2MMP3
SCHEMBL8016468 0.85 MEN1 (0.37) MEN1KMT2AATMMMP2MMP3
SCHEMBL8834479 0.84 MMP2 (0.39) MEN1KMT2AATMMMP2MMP3
SCHEMBL8023308 0.84 MEN1 (0.39) MEN1KMT2AATMMMP2MMP3
SCHEMBL28910063 0.83 MMP2 (0.36) MEN1KMT2AATMMMP2MMP3
SCHEMBL8016478 0.82 MEN1 (0.38) MEN1KMT2AATMMMP2MMP3
SCHEMBL14768367 0.82 MEN1 (0.42) MEN1KMT2AATMMMP2MMP3
SCHEMBL27886667 0.82 MEN1 (0.42) MEN1KMT2AATMMMP2MMP3
Phosphine SCHEMBL28856691 0.81 MEN1 (0.41) MEN1KMT2AATMMMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0890096-A1 CATION-SELECTIVE SENSOR INSTITUT FÜR CHEMO- UND BIOSENSORIK Münster e.V. (DE) 1999-01-13 EP disclosed
WO-1997037215-A1 CATION-SELECTIVE SENSOR Institut für Chemo- und Biosensorik Münster E.V. (DE) 1997-10-09 WO disclosed