SCHEMBL7328327

SCHEMBL7328327

CC1(C)Oc2ccc(C(=O)c3ccccc3Cl)cc2C(O)C1Br

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.43
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
RECQL P46063 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
SCHEMBL7324904 0.84 ABCC9 (0.51) ABCC9IDO1HPGD
SCHEMBL9869515 0.83 SMN1; SMN2 (0.39) ABCC9IDO1
SCHEMBL9869526 0.83 SMN1; SMN2 (0.39) ABCC9IDO1
SCHEMBL9195128 0.79 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9195110 0.79 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9195123 0.79 ABCC9 (0.40) ABCC9IDO1
SCHEMBL9313743 0.75 ACHE (0.38) ABCC9IDO1
SCHEMBL7329102 0.75 ABCC9 (0.59) ABCC9
SCHEMBL7329096 0.75 ABCC9 (0.59) ABCC9
SCHEMBL10638845 0.74 KCNE1 (0.52) ABCC9IDO1KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355565-A1 6-Benzoyl-substituted 3,4-dihydro-2H-benzopyranes, method for their preparation and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed