SCHEMBL8953841

SCHEMBL8953841

COC(c1cccc(OCc2ccc(N(C)C(C)=O)cc2)c1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.41
FFAR1 O14842 2/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CHRM3 P20309 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX5 P09917 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAOB P27338 3/20 0.36
POLB P06746 1/20 0.36
MAOA P21397 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
SCHEMBL8953916 0.87 ALOX5 (0.37) FFAR1ALOX5SMN1; SMN2MAOBPOLB
SCHEMBL8953864 0.79 MAOB (0.47) RAB9AKMT2AALDH1A1MAOBMAOA
SCHEMBL8953821 0.77 POLB (0.38) FFAR1ALOX5SMN1; SMN2KMT2AALDH1A1
SCHEMBL8953851 0.77 SLC2A1 (0.43) ACACAFFAR1RAB9ANPC1SMN1; SMN2
SCHEMBL8953698 0.77 RAB9A (0.41) ACACARAB9ANPC1LMNAHPGD
SCHEMBL8953694 0.77 RAB9A (0.41) ACACARAB9ANPC1LMNAHPGD
SCHEMBL9390739 0.76 ALOX5 (0.48) ALOX5POLB
SCHEMBL8953777 0.76 MAOB (0.43) RAB9AKMT2AALDH1A1MAOBMAOA
SCHEMBL8953702 0.76 MAOB (0.43) RAB9AKMT2AALDH1A1MAOBMAOA
SCHEMBL8953700 0.73 ALOX5 (0.40) ALOX5SMN1; SMN2POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed