SCHEMBL7330290

SCHEMBL7330290

CC1(C)Oc2ccc(C(=O)c3ccccc3)cc2[C@H](N2CCCCC2=O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.60
ABCC8 Q09428 2/20 0.60
KCNJ11 Q14654 2/20 0.60
KCNJ8 Q15842 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 1/20 0.60
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 2/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL7330300 1.00 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7330292 1.00 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331787 0.97 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331778 0.97 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331784 0.97 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7323099 0.88 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7323087 0.88 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7323090 0.88 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7319009 0.88 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7319016 0.88 ABCC9 (0.63) 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