SCHEMBL9800561

SCHEMBL9800561

CC(O)CN(CC(C)O)c1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TLR9 Q9NR96 1/20 0.36
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2184301 0.83 SLC16A3 (0.32) KMT2A
SCHEMBL11706534 0.79
SCHEMBL338524 0.78 POLB (0.44) CRHBPCRHR2TLR9TSHR
SCHEMBL31010261 0.77 TYR (0.40) CRHBPCRHR2TLR9
SCHEMBL83496 0.77 CYP2C19 (0.44) CRHBPCRHR2TLR9KMT2AATM
SCHEMBL11165549 0.75 TSHR (0.46) CRHBPCRHR2TLR9KMT2AATM
SCHEMBL22461658 0.75 AOC3 (0.43) CRHBPCRHR2TLR9KMT2ATSHR
SCHEMBL22421588 0.75 AOC3 (0.43) CRHBPCRHR2TLR9KMT2ATSHR
SCHEMBL20717748 0.73 NR3C1 (0.41) CRHBPCRHR2TLR9
SCHEMBL29528493 0.72 AOC3 (0.46) KMT2A

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-0269573-B1 LIQUID PHOTOINITIATING MIXTURE CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0269573-A2 Liquid photoinitiating mixture CIBA-GEIGY AG (CH) 1988-06-01 EP disclosed