SCHEMBL9714491

SCHEMBL9714491

N#CCCCOc1ccc(CCl)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
KCNA3 P22001 1/20 0.37
GAA P10253 1/20 0.36
ESR1 P03372 1/20 0.36
ESRRG P62508 1/20 0.36
MAOB P27338 1/20 0.36
LTA4H P09960 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL9714621 0.96 KCNA3 (0.40) BACE1KCNA3GAAESR1ESRRG
SCHEMBL9714805 0.85 GUSB (0.38)
SCHEMBL1046791 0.82 LTA4H (0.53) LTA4HL3MBTL1
SCHEMBL9714791 0.82 LTA4H (0.36) MAOBLTA4HL3MBTL1
SCHEMBL7501215 0.77 KCNA3 (0.62) BACE1KCNA3GAALTA4H
SCHEMBL25297779 0.76 LMNA (0.53) GAAMAOBLTA4HL3MBTL1FFAR1
SCHEMBL3156508 0.76 LTA4H (0.50) LTA4HL3MBTL1
SCHEMBL9714610 0.76 MAOB (0.46) GAAMAOBL3MBTL1
SCHEMBL9714604 0.76 TDP1 (0.43) ESR1MAOBL3MBTL1
SCHEMBL8616998 0.75 KCNA3 (0.67) KCNA3LTA4HL3MBTL1FFAR1

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-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed