SCHEMBL7320895

SCHEMBL7320895

CC1(C)Oc2ccc(C(=O)c3ccccc3C(F)(F)F)cc2[C@H](N2CCCC2=O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.56
ABCC8 Q09428 2/20 0.56
KCNJ11 Q14654 2/20 0.56
KCNJ8 Q15842 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.56
CTNNB1 P35222 3/20 0.36
WNT3A P56704 3/20 0.36
RORC P51449 2/20 0.35
PPARG P37231 1/20 0.35
ABCB1 P08183 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL7320898 1.00 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7329096 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7329102 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331778 0.85 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331787 0.85 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331784 0.85 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7354720 0.85 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7354731 0.85 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7354715 0.85 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9870545 0.83 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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