SCHEMBL18507940

SCHEMBL18507940

Cc1c(Cl)ccc(CO)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.41
CD274 Q9NZQ7 3/20 0.41
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
S1PR1 P21453 1/20 0.31
CES1 P23141 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
RORC P51449 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
SCHEMBL2361509 0.86 PDCD1 (0.36) PDCD1CD274ALDH1A1CYP1A2CYP2A6
SCHEMBL13199168 0.84 PDCD1 (0.50) PDCD1CD274ALDH1A1CYP2A6LMNA
SCHEMBL4337373 0.84 PDCD1 (0.39) PDCD1CD274ALDH1A1CYP2A6S1PR1
SCHEMBL31670722 0.80 PDCD1 (0.33) PDCD1CD274ALDH1A1S1PR1RORC
SCHEMBL14126984 0.80 ATP4A (0.40) PDCD1CD274ALDH1A1
SCHEMBL92967 0.79 PDCD1 (0.53) PDCD1CD274ALDH1A1CYP1A2CYP2A6
SCHEMBL13038358 0.78 CTRC (0.40) ALDH1A1CES1LMNA
SCHEMBL18254202 0.77 TP53 (0.33) PDCD1CD274LMNA
SCHEMBL16553485 0.76 PNMT (0.44) CD274ALDH1A1CES1
SCHEMBL12696814 0.76 ALDH1A1 (0.33) ALDH1A1CES1

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-2935508-B1 TRACERS RESTRACK AS (NO) 2017-02-15 EP disclosed