SCHEMBL7970138

SCHEMBL7970138

CN(C)c1ccc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
P2RY6 Q15077 1/20 0.50
CA9 Q16790 10/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
ATM Q13315 1/20 0.45
PLEC Q15149 1/20 0.45
ESR1 P03372 1/20 0.44
CA12 O43570 4/20 0.43

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
SCHEMBL92964 0.88 P2RY6 (0.49) USP2L3MBTL1P2RY6CA9MEN1
SCHEMBL10293759 0.88 P2RY6 (0.64) USP2L3MBTL1P2RY6CA9MEN1
SCHEMBL24352949 0.87 USP2 (0.72) USP2L3MBTL1CA9MEN1KMT2A
SCHEMBL14415041 0.87 P2RY6 (0.48) USP2L3MBTL1P2RY6CA9MEN1
SCHEMBL17777839 0.87 P2RY6 (0.48) USP2L3MBTL1P2RY6CA9MEN1
Sulfuric Acid SCHEMBL592952 0.85 USP2 (0.52) USP2L3MBTL1P2RY6CA9MEN1
Sulfuric Acid SCHEMBL30598807 0.85 USP2 (0.52) USP2L3MBTL1P2RY6CA9MEN1
SCHEMBL1437042 0.84 USP2 (0.78) USP2L3MBTL1CA9MEN1KMT2A
SCHEMBL14597230 0.84 P2RY6 (0.48) USP2L3MBTL1P2RY6CA9MEN1
SCHEMBL13577577 0.84 P2RY6 (0.48) USP2L3MBTL1P2RY6CA9MEN1

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
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed