SCHEMBL7445875

SCHEMBL7445875

COc1ccc2c(c1)OCC(C(=O)C1COc3cc(OC)ccc3O1)O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 2/20 0.51
MTNR1A P48039 3/20 0.50
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
DNMT1 P26358 1/20 0.45
CASP6 P55212 1/20 0.45
MCL1 Q07820 1/20 0.45
CASP8 Q14790 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL7435383 0.94 MTNR1A (0.56) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL11483282 0.90 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL11492391 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL22158332 0.84 MTNR1A (0.55) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL7427958 0.82 TSHR (0.47) SMN1; SMN2MAPTTSHRRAB9AHPGD
SCHEMBL7437345 0.80 RAB9A (0.50) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL1494386 0.78 MAPT (0.48) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL9412105 0.77 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL7443165 0.76 NPC1 (0.50) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL7434686 0.76 NPC1 (0.42) SMN1; SMN2MAPTALDH1A1TSHRNPC1

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-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed