SCHEMBL8809478

SCHEMBL8809478

CC1(C)C=C(N2CCN(Cc3ccccc3)CC2=O)c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LIPE Q05469 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ CHRM5 P08912 4/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ FNTA P49354 1/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ BCHE P06276 3/20 0.36
▸ ACHE P22303 3/20 0.36
▸ BACE1 P56817 3/20 0.36
▸ DRD4 P21917 3/20 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
SCHEMBL8808862 0.90 KMT2A (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8815237 0.85 MEN1 (0.36) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8811509 0.85 PSEN1 (0.39) LIPECHRM5PSEN1PSEN2APH1B
SCHEMBL8810875 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8807376 0.83 PSEN1 (0.40) ALDH1A1KDM4EKMT2ACHRM5PSEN1
SCHEMBL8807489 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8810556 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9740515 0.81 PSEN1 (0.42) KDM4ELIPECHRM5PSEN1PSEN2
SCHEMBL8809308 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8810133 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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 3 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 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
Send feedback