SCHEMBL9254585

SCHEMBL9254585

COC1(c2cccc(SCc3ccc(CNC(=O)N(C)C)cc3)c2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.42
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 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
SCHEMBL9250218 0.87 ALOX5 (0.42) ALOX5
SCHEMBL9250589 0.85 ALOX5 (0.42) ALOX5
SCHEMBL9246947 0.82 ALOX5 (0.62) ALOX5
SCHEMBL9255974 0.80 ALOX5 (0.41) ALOX5
SCHEMBL8953659 0.76 SIRT2 (0.38) TSHR
SCHEMBL9250493 0.73 ALOX5 (0.50) ALOX5
SCHEMBL9259112 0.72 ALOX5 (0.43) ALOX5
SCHEMBL9247548 0.72 ALOX5 (0.60) ALOX5
SCHEMBL9251045 0.72 ALOX5 (0.45) ALOX5
SCHEMBL8783640 0.72 ALOX5 (0.59) ALOX5

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 disclosed
US-5346914-A Antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1994-09-13 US disclosed