SCHEMBL8809281

SCHEMBL8809281

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 11/20 0.59
▸ ABCC8 Q09428 2/20 0.59
▸ KCNJ11 Q14654 2/20 0.59
▸ KCNJ8 Q15842 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 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
SCHEMBL8809357 1.00 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8809287 1.00 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8807495 0.97 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8809431 0.97 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8807499 0.97 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8810547 0.88 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9740920 0.88 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8810554 0.88 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8010642 0.87 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL8807849 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350805-B1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds BEIERSDORF LILLY GMBH (DE) 1997-04-16 — — EP claimed
US-5028711-A Hypotensive Agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1991-07-02 — — US claimed
EP-0350805-A1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds Beiersdorf-Lilly GmbH (DE) 1990-01-17 — — EP claimed
EP-0350805-B1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds BEIERSDORF LILLY GMBH (DE) 1997-04-16 — — EP disclosed
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
EP-0350805-A1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds Beiersdorf-Lilly GmbH (DE) 1990-01-17 — — EP disclosed
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