SCHEMBL9300855

SCHEMBL9300855

CC1(C)C=C(n2ccc(CCO[N+](=O)[O-])cc2=O)c2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.30

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
SCHEMBL9300650 0.95 PPARG (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9300120 0.91 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9301527 0.85 PDE4A (0.38)
SCHEMBL9299550 0.83 PPARG (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9301088 0.83 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9300502 0.83 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9299404 0.82 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9300101 0.81 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9299338 0.81 DUT (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9299857 0.80 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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-5296492-A Certain chroman derivatives useful for treating symptoms caused by contraction of smooth muscles, circulatory diseases or epilepsy NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-03-22 US disclosed
EP-0518342-A1 Chroman derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-12-16 EP disclosed