SCHEMBL6276567

SCHEMBL6276567

CCCCC(C)(C)c1cc(C)cc(=O)n1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.41
CNR2 P34972 4/20 0.38
CNR1 P21554 3/20 0.38
NR1I2 O75469 1/20 0.36
KDM4B O94953 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
DOHH Q9BU89 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
SCHEMBL627794 0.73 IDH1 (0.39) IDH1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL11856342 0.68 IDH1 (0.54) IDH1
SCHEMBL7087767 0.68 IDH1 (0.54) IDH1
SCHEMBL10934346 0.68 IDH1 (0.54) IDH1
SCHEMBL10726805 0.68 IDH1 (0.54) IDH1
SCHEMBL7087631 0.68 IDH1 (0.54) IDH1
SCHEMBL3131899 0.67 IDH1 (0.53) IDH1
SCHEMBL11664288 0.66 SMN1; SMN2 (0.52) CNR2CNR1
SCHEMBL24120659 0.66 IDH1 (0.38) IDH1
SCHEMBL936901 0.66 IDH1 (0.51) IDH1

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-1605923-A2 MSSN DISPERSION AND METHOD FOR PRODUCING THE SAME IFAC GmbH & CO. KG (DE) 2005-12-21 EP disclosed
WO-2004082666-A2 MSSN DISPERSION AND METHOD FOR PRODUCING THE SAME IFAC GMBH & CO. KG (DE) 2004-09-30 WO disclosed