SCHEMBL14408602

SCHEMBL14408602

COC1O[C@H](C)C(N[C@@H]2C=C(CO)C(O)[C@@H](O)C2O)[C@H](O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 8/20 1.00
SI P14410 7/20 1.00
AMY2A P04746 8/20 0.68
GAA P10253 4/20 0.67
AMY1A P0DUB6 3/20 0.67
CNR1 P21554 1/20 0.67
PTGS1 P23219 1/20 0.67
PDE4A P27815 1/20 0.67
PDE3A Q14432 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
ALDH1A1 P00352 1/20 0.67
GLA P06280 1/20 0.67

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
SCHEMBL14408601 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL5159805 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL30937785 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL14408731 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL14408476 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL5158956 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL14408605 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL14408698 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL14408606 1.00 MGAM (1.00) MGAMSIAMY2AGAAAMY1A
SCHEMBL14416167 0.89 AMY2A (0.87) MGAMSIAMY2AGAAAMY1A

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-7271158-B2 Treatment of rumen acidosis with α-amylase inhibitors PFIZER INC. (US) 2007-09-18 US disclosed
US-7271158-B2 Treatment of rumen acidosis with α-amylase inhibitors PFIZER INC. (US) 2007-09-18 US disclosed