SCHEMBL10624665

SCHEMBL10624665

Cc1ccc(C(=O)OC[C@H]2O[C@H](n3cnc4c(Cl)nc(I)nc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UPP1 Q16831 1/20 0.43
▸ P2RY1 P47900 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RNASE1 P07998 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PNP P00491 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NT5E P21589 1/20 0.34

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
SCHEMBL10624661 1.00 UPP1 (0.43) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL13743349 0.92 POLB (0.46) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL7200818 0.92 LMNA (0.49) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL6559406 0.92 LMNA (0.49) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL6559404 0.92 LMNA (0.49) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL9393705 0.92 LMNA (0.49) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL7915780 0.91 UPP1 (0.44) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL7915783 0.91 UPP1 (0.44) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL8790811 0.87 UPP1 (0.45) UPP1P2RY1LMNATP53ALDH1A1
SCHEMBL8671208 0.87 UPP1 (0.45) UPP1P2RY1LMNATP53ALDH1A1

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
US-4719295-A ANTIMICROBIAL, ANTIVIRAL, ANTILEUKEMIA WARNER-LAMBERT COMPANY (US) 1988-01-12 — — US disclosed
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