SCHEMBL9140493

SCHEMBL9140493

CC1(C)C=C(N2CCCCC2=O)c2cc(C(F)(F)C(F)(F)F)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PSEN1 P49768 3/20 0.33
▸ PSEN2 P49810 3/20 0.33
▸ APH1B Q8WW43 3/20 0.33
▸ NCSTN Q92542 3/20 0.33
▸ APH1A Q96BI3 3/20 0.33
▸ PSENEN Q9NZ42 3/20 0.33
▸ ABCC9 O60706 1/20 0.31
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.31
▸ KCNJ8 Q15842 1/20 0.31
▸ PDK2 Q15119 1/20 0.31

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
SCHEMBL9138225 0.97 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8130743 0.85 PDK2 (0.30) PDK2
SCHEMBL9752997 0.83 HSD11B1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8808216 0.82 PSEN1 (0.41) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8132194 0.82 PDK2 (0.33) PDK2
SCHEMBL8807511 0.82 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL8807323 0.81 LMNA (0.36) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL8812180 0.81 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL8809865 0.80 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DPDK2
SCHEMBL8810566 0.80 PSEN1 (0.36) PDE4APDE4BPDE4CPDE4DPSEN1

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
US-5470872-A Benzopyranols BEECHAM GROUP PLC (GB) 1995-11-28 — — US claimed
EP-0376524-B1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1995-03-29 — — EP claimed
EP-0376524-A1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1990-07-04 — — EP claimed
US-5470872-A Benzopyranols BEECHAM GROUP PLC (GB) 1995-11-28 — — US disclosed
EP-0376524-B1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1995-03-29 — — EP disclosed
EP-0633256-A1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1995-01-11 — — EP disclosed
EP-0376524-A1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1990-07-04 — — EP disclosed
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