SCHEMBL9254958

SCHEMBL9254958

COC1(c2cc(F)cc(Sc3ccc(N(C)C(=O)N4CCOCC4)cc3)c2)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.54
MLYCD O95822 1/20 0.44
PTGS1 P23219 2/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36
AGTR2 P50052 1/20 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
SCHEMBL9253996 0.94 ALOX5 (0.51) ALOX5MLYCDPTGS1PTGS2AGTR2
Hydrochloric Acid SCHEMBL9258186 0.93 ALOX5 (0.51) ALOX5MLYCDPTGS1PTGS2
SCHEMBL9247287 0.87 ALOX5 (0.48) ALOX5MLYCD
SCHEMBL9254539 0.86 ALOX5 (0.57) ALOX5
SCHEMBL9259689 0.81 ALOX5 (0.59) ALOX5PTGS1PTGS2
SCHEMBL9255721 0.80 ALOX5 (0.47) ALOX5MLYCD
SCHEMBL9049483 0.80 ALOX5 (0.51) ALOX5LMNA
Hydrochloric Acid SCHEMBL9254479 0.80 ALOX5 (0.46) ALOX5MLYCD
SCHEMBL9048169 0.79 ALOX5 (0.46) ALOX5PTGS1
SCHEMBL9037267 0.78 ALOX5 (0.44) ALOX5PTGS1PTGS2

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-5432194-A Antiallergens, antinflammatory agents ABBOTT LABORATORIES (US) 1995-07-11 US claimed
US-5432194-A Antiallergens, antinflammatory agents ABBOTT LABORATORIES (US) 1995-07-11 US disclosed