SCHEMBL9742233

SCHEMBL9742233

CC1(C)Oc2ccc([S+]([O-])C(F)F)cc2[C@@H](N2CCN(Cc3ccccc3)CC2=O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.49
▸ ABCC9 O60706 8/20 0.41
▸ ABCC8 Q09428 2/20 0.41
▸ KCNJ11 Q14654 2/20 0.41
▸ KCNJ8 Q15842 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KCNA5 P22460 4/20 0.35
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL9742227 1.00 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8808623 1.00 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8810053 0.88 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9740243 0.88 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9740249 0.88 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9741121 0.86 ABCC9 (0.42) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8808513 0.86 ABCC9 (0.42) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9741115 0.86 ABCC9 (0.42) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8810350 0.85 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9740724 0.85 ABCB1 (0.49) ABCB1ABCC9ABCC8KCNJ11KCNJ8

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
US-5096914-A Hypotensive agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
US-5028711-A Hypotensive Agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1991-07-02 — — US disclosed
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