Sugi Predict

Sugi Predict / Compounds / SCHEMBL6016029

SCHEMBL6016029

SCHEMBL6016029

Cc1c(C)c2c(c(C)c1OC(N)=O)C(c1ccc(C(C)C)cc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ ACR P10323 1/20 0.30

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
SCHEMBL3598864 0.79 TP53 (0.33) TP53MAPTSMN1; SMN2
SCHEMBL3603181 0.79 ALOX15 (0.32) POLBBRD4
SCHEMBL3598349 0.78 HTT (0.38) POLBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL3605777 0.78 SMN1; SMN2 (0.33) TP53MAPTSMN1; SMN2ALDH1A1BRD4
SCHEMBL3600938 0.76 TP53 (0.33) TP53MAPTSMN1; SMN2
SCHEMBL3596091 0.76 TP53 (0.33) TP53MAPTSMN1; SMN2
SCHEMBL3607682 0.76 BRD4 (0.32) TP53MAPTSMN1; SMN2ALDH1A1BRD4
SCHEMBL3596534 0.75 BRD4 (0.33) TP53MAPTSMN1; SMN2ALDH1A1BRD4
SCHEMBL3597112 0.74 MAPT (0.31) TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL3600163 0.74 SMN1; SMN2 (0.33) POLBMAPTSMN1; SMN2ALDH1A1

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
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 — — EP disclosed