SCHEMBL9440654

SCHEMBL9440654

CC1(C)Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[C@@H](n2ccccc2=O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 16/20 0.44
▸ ABCC8 Q09428 2/20 0.38
▸ KCNJ11 Q14654 2/20 0.38
▸ KCNJ8 Q15842 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ KCNA5 P22460 2/20 0.35

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
SCHEMBL9440640 1.00 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9440648 1.00 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9488256 0.86 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9488241 0.86 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9488249 0.86 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9869960 0.85 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9869955 0.85 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9869951 0.85 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9668553 0.84 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9474946 0.84 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6009627-A — — None — — JP disclosed
JP-H069627-A BENZOPYRAN SUBSTANCE SANKYO CO LTD 1994-01-18 — — JP disclosed
US-5254578-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1993-10-19 — — US disclosed
EP-0482931-A1 Benzopyran derivatives having anti-hypertensive and vasodilatory activity, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-04-29 — — EP disclosed
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