SCHEMBL9615215

SCHEMBL9615215

COc1ccccc1OCc1cccc(COc2ccccc2OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.69
APP P05067 1/20 0.62
HTR1A P08908 6/20 0.60
ADRA1D P25100 5/20 0.60
ADRA1A P35348 5/20 0.60
ADRA1B P35368 5/20 0.60
ABCB1 P08183 4/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RXRA P19793 1/20 0.56
DRD2 P14416 1/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ATM Q13315 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52

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
SCHEMBL14878215 0.93 MRGPRX4 (0.61) MRGPRX4APPHTR1AADRA1DADRA1A
SCHEMBL12600498 0.91 MRGPRX4 (0.60) MRGPRX4APPHTR1AADRA1DADRA1A
SCHEMBL27973809 0.88 MRGPRX4 (0.57) MRGPRX4APPHTR1AADRA1DADRA1A
SCHEMBL791853 0.88 HTR1A (0.74) MRGPRX4APPHTR1AADRA1DADRA1A
SCHEMBL30416387 0.88 HTR1A (0.74) MRGPRX4APPHTR1AADRA1DADRA1A
SCHEMBL12963323 0.86 ABCB1 (0.73) MRGPRX4APPHTR1AADRA1DADRA1A
SCHEMBL12600530 0.86 MRGPRX4 (0.58) MRGPRX4APPHTR1AADRA1DADRA1A
SCHEMBL15309963 0.86 MRGPRX4 (0.55) MRGPRX4APPHTR1AADRA1DADRA1A
SCHEMBL12600496 0.86 MRGPRX4 (0.55) MRGPRX4APPHTR1AADRA1DADRA1A
Ammonia Solution, Strong SCHEMBL2063054 0.86 HTR1A (0.72) MRGPRX4APPHTR1AADRA1DADRA1A

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
JP-4122682-A None JP disclosed
JP-H04122682-A THERMAL RECORDING MATERIAL OJI PAPER CO LTD 1992-04-23 JP disclosed