SCHEMBL8010642

SCHEMBL8010642

CC1(C)Oc2ccc(S(N)(=O)=O)cc2C(N2CCCCC2=O)C1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 13/20 0.62
▸ ABCC8 Q09428 2/20 0.62
▸ KCNJ11 Q14654 2/20 0.62
▸ KCNJ8 Q15842 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 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
SCHEMBL9293700 0.87 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9740405 0.87 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8807855 0.87 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8809357 0.87 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8809281 0.87 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8807849 0.87 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293707 0.87 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8809287 0.87 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293711 0.87 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293335 0.86 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
WO-2000021957-A1 BENZOPYRANS HAVING POTASSIUM CHANNEL OPENING ACTIVITY NOVARTIS AG (CH) 2000-04-20 — — WO disclosed
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