SCHEMBL19720186

SCHEMBL19720186

CC(C)(O)C#Cc1ccc(C#CC(C)(C)O)c2c1C(=O)OC2=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ASIC3 Q9UHC3 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PGK1 P00558 1/20 0.31
▸ ALK Q9UM73 1/20 0.30
▸ LYN P07948 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ LMNA P02545 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
SCHEMBL14918648 0.75 TYMS (0.47) TSHRCYP1A2POLBHTTLMNA
SCHEMBL2811769 0.70 ALOX15 (0.38) —
SCHEMBL19720189 0.69 L3MBTL1 (0.33) L3MBTL1
SCHEMBL3447208 0.69 ALK (0.42) TSHRASIC3ALK
SCHEMBL6350024 0.68 PGK1 (0.41) L3MBTL1ASIC3PGK1LYNSRC
SCHEMBL14268119 0.67 TSHR (0.45) L3MBTL1TSHRPOLBASIC3HTT
SCHEMBL5346211 0.67 ALDH1A1 (0.40) L3MBTL1TSHRPOLBCYP3A4ASIC3
SCHEMBL22031704 0.66 ALDH1A1 (0.45) L3MBTL1TSHRPOLB
SCHEMBL9527225 0.66 LMNA (0.41) L3MBTL1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL12724854 0.66 L3MBTL1 (0.46) L3MBTL1TSHRPOLBHTTLMNA

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-3257846-A1 METHOD FOR FORMING POLYALKYNYL-ARENES Dow Global Technologies LLC (US) 2017-12-20 — — EP disclosed
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