SCHEMBL5316941

SCHEMBL5316941

CCOC(=O)C1OC1c1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.74
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
POLB P06746 2/20 0.41
PKM P14618 2/20 0.41
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 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
SCHEMBL111475 0.85 TSHR (1.00) TSHRALDH1A1KDM4EMAPTPKM
SCHEMBL8746347 0.85 TSHR (1.00) TSHRALDH1A1KDM4EMAPTPKM
SCHEMBL3201023 0.85 TSHR (1.00) TSHRALDH1A1KDM4EMAPTPKM
SCHEMBL8875725 0.85 TSHR (1.00) TSHRALDH1A1KDM4EMAPTPKM
SCHEMBL14365934 0.85 TSHR (1.00) TSHRALDH1A1KDM4EMAPTPKM
SCHEMBL14393160 0.85 TSHR (1.00) TSHRALDH1A1KDM4EMAPTPKM
SCHEMBL7143000 0.84 TSHR (0.74) TSHRALDH1A1KDM4EGAAKMT2A
SCHEMBL3890951 0.84 TSHR (0.74) TSHRALDH1A1KDM4EGAAKMT2A
SCHEMBL2210689 0.84 TSHR (0.79) TSHRALDH1A1MAPTGAAKMT2A
SCHEMBL20702809 0.84 TSHR (0.68) TSHRALDH1A1KDM4EMAPTCASP1

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
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed