SCHEMBL17414620

SCHEMBL17414620

CCCCOc1cc(OCCCC)cc(C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.62
▸ PARP10 Q53GL7 2/20 0.50
▸ TSHR P16473 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PLA2G4B P0C869 1/20 0.47
▸ SAE1 Q9UBE0 1/20 0.47
▸ UBA2 Q9UBT2 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL15977059 0.96 PLA2G2A (0.57) PLA2G2APARP10TSHRRAB9AGAA
SCHEMBL14763514 0.93 PLA2G2A (0.73) PLA2G2ATSHRRAB9AGAATP53
SCHEMBL11695455 0.93 PLA2G2A (0.73) PLA2G2ATSHRRAB9AGAATP53
SCHEMBL5086980 0.93 PLA2G2A (0.73) PLA2G2ATSHRRAB9AGAATP53
Hydrochloric Acid SCHEMBL5005668 0.91 PLA2G2A (0.71) PLA2G2ATSHRRAB9AGAATP53
SCHEMBL6836738 0.91 PLA2G2A (0.54) PLA2G2APARP10TSHRSMN1; SMN2
SCHEMBL31144917 0.85 PLA2G2A (0.47) PLA2G2APARP10TSHRRAB9AGAA
SCHEMBL9168399 0.84 PLA2G2A (0.60) PLA2G2ATSHRRAB9AGAATP53
SCHEMBL203212 0.84 PLA2G2A (0.60) PLA2G2ATSHRRAB9AGAATP53
SCHEMBL9970987 0.83 PLA2G2A (0.64) PLA2G2ATSHRGAATP53PLA2G4B

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
WO-2016004093-A2 THERAPEUTIC COMPOSITIONS INCLUDING GALECTIN-3 INHIBITORS AND USES THEREOF STEALTH BIOTHERAPEUTICS CORP (MC) 2016-01-07 — — WO disclosed
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