SCHEMBL11477752

SCHEMBL11477752

CC(N)CCCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.62
FFAR1 O14842 3/20 0.48
PPARG P37231 1/20 0.48
HMOX1 P09601 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 2/20 0.44
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL18003091 0.79 LTA4H (0.67) MAOBFFAR1HMOX1
SCHEMBL14264227 0.78 MAOB (0.97) MAOBHMOX1
SCHEMBL265123 0.77 TAAR1 (0.57) MAOBMEN1KMT2AIDO1
Hydrochloric Acid SCHEMBL9735858 0.77 MAOB (0.60) MAOBFFAR1PPARGHMOX1MEN1
SCHEMBL23642870 0.77 MAOB (0.64) MAOBFFAR1HMOX1
SCHEMBL16976018 0.77 MAOB (0.64) MAOBFFAR1
SCHEMBL19841942 0.77 MAOB (0.64) MAOBFFAR1PPARGHMOX1IDO1
Hydrochloric Acid SCHEMBL4450419 0.77 MAOB (1.00) MAOB
SCHEMBL11478368 0.76 MAOB (0.56) MAOBIDO1
SCHEMBL13279971 0.76 MAOB (0.73) MAOBHMOX1IDO1

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-4220663-A Combating pests with benzyl phenyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1980-09-02 US disclosed
US-4145439-A NEMATOCIDES, FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed