SCHEMBL6784580

SCHEMBL6784580

COC1=CC[CH]C(Cc2ccc(OC)cc2)=C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
SIGMAR1 Q99720 2/20 0.41
IDO1 P14902 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
LMNA P02545 1/20 0.38
AGXT P21549 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL10922332 0.85 MAPK1 (0.35) LTA4HSMN1; SMN2ALDH1A1LMNATAAR1
SCHEMBL26383972 0.77 LTA4H (0.46) LTA4HSIGMAR1IDO1HRH3SMN1; SMN2
SCHEMBL4805626 0.74 CA12 (0.41) IDO1SMN1; SMN2ALDH1A1
SCHEMBL25986524 0.71 LTA4H (0.81) LTA4HIDO1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL1425001 0.71 LTA4H (0.81) LTA4HIDO1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL27884 0.71 LTA4H (0.81) LTA4HIDO1SMN1; SMN2ALDH1A1CYP2D6
Ammonia Solution, Strong SCHEMBL20919857 0.69 LTA4H (0.77) LTA4HIDO1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL2562583 0.69 LTA4H (0.57) LTA4HSIGMAR1IDO1SMN1; SMN2ALDH1A1
SCHEMBL20636307 0.68 LTA4H (0.47) LTA4HSIGMAR1IDO1HRH3SMN1; SMN2
SCHEMBL21994566 0.66 LTA4H (0.59) LTA4HSIGMAR1IDO1SMN1; SMN2ALDH1A1

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-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 US disclosed