SCHEMBL8331029

SCHEMBL8331029

C=CC(C)(C)c1cc(O)c(O)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 12/20 0.41
▸ PIM1 P11309 1/20 0.35
▸ PTPN1 P18031 2/20 0.35

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
SCHEMBL12813802 0.82 ERN1 (0.47) ERN1PIM1
SCHEMBL4852590 0.79 ERN1 (0.46) ERN1
SCHEMBL9176114 0.71 ERN1 (0.58) ERN1PIM1
SCHEMBL419690 0.71 ERN1 (0.58) ERN1PIM1
SCHEMBL7191193 0.70 PTPN1 (0.44) ERN1PTPN1
SCHEMBL11665581 0.69 GABRA1 (0.48) PTPN1
SCHEMBL31152505 0.68 ERN1 (0.58) ERN1
SCHEMBL31152503 0.68 ERN1 (0.58) ERN1
SCHEMBL3982574 0.67 ERN1 (0.78) ERN1PIM1
SCHEMBL2477063 0.67 ERN1 (0.52) ERN1

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-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 — — US disclosed
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