SCHEMBL9009950

SCHEMBL9009950

C#CCOC(=O)C1C=CCCC1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL9010032 0.84 ALOX15 (0.43) CHRM1CA12CA1CA2CA9
SCHEMBL9009966 0.79 USP2 (0.35) USP2ALDH1A1ALOX15TDP1MAPT
SCHEMBL9009964 0.77 MAPT (0.35) TSHRUSP2ALDH1A1ALOX15TDP1
SCHEMBL9010026 0.77 TSHR (0.35) POLBTSHRALDH1A1MAPT
SCHEMBL6219581 0.74 MAPT (0.36) MAPT
SCHEMBL9009960 0.73 EPHX1 (0.34) MAPT
SCHEMBL1143090 0.72 ALDH1A1 (0.47) CA12CA1CA2CA9USP2
SCHEMBL9010028 0.72 GAA (0.38) POLBMAPT
SCHEMBL248183 0.71 MAPT (0.34) POLBTDP1MAPT
SCHEMBL27970934 0.70 POLB (0.44) POLBNPC1CYP1A2CHRM2CHRM4

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
EP-0741131-A1 N-PHENYLTETRAHYDROPHTHALAMIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT CENTRAL GLASS COMPANY, LIMITED (JP) 1996-11-06 EP disclosed