SCHEMBL8624447

SCHEMBL8624447

COc1ccc2c(c1)c(O)nn2Cc1ccc(OC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
PTGER4 P35408 2/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLA2G2A P14555 3/20 0.42
POLB P06746 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
PMP22 Q01453 2/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41

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
SCHEMBL8448659 0.89 CNR1 (0.52) LMNAPTGER4ALDH1A1CNR1CNR2
SCHEMBL8522667 0.87 PTGER4 (0.58) LMNAPTGER4SMN1; SMN2POLBMCL1
SCHEMBL8445572 0.86 LMNA (0.51) LMNAPTGER4ALDH1A1PLA2G2APOLB
SCHEMBL8448874 0.85 MAPT (0.49) LMNAPTGER4ALDH1A1CNR1CNR2
SCHEMBL8441605 0.84 PTGS2 (0.50) PTGER4CNR1CNR2PLA2G2ATSHR
SCHEMBL6966885 0.84 KDM4E (0.50) LMNAPTGER4SMN1; SMN2CNR1CNR2
SCHEMBL8627206 0.83 BUB1 (0.44) PTGER4ALDH1A1CNR1CNR2PTGDR2
SCHEMBL8310022 0.82 CCR2 (0.50) LMNAPTGER4ALDH1A1CNR1CNR2
SCHEMBL8450448 0.82 AKR1C3 (0.51) PTGER4CNR1CNR2PLA2G2APTGDR2
SCHEMBL8521077 0.82 CCR9 (0.47) PTGER4SMN1; SMN2CNR1CNR2CYP1A2

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-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed