SCHEMBL11495787

SCHEMBL11495787

CCC(=O)Oc1c(CO)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC2A1 P11166 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NCEH1 Q6PIU2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39

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
SCHEMBL10793444 0.88 ALDH1A1 (0.44) ALDH1A1KMT2ASLC2A1L3MBTL1NCEH1
SCHEMBL8210145 0.83 KMT2A (0.47) ALDH1A1KMT2AL3MBTL1NCEH1SMN1; SMN2
SCHEMBL10440127 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AL3MBTL1NCEH1SMN1; SMN2
SCHEMBL18049812 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1NCEH1SMN1; SMN2
SCHEMBL18032834 0.80 KMT2A (0.44) ALDH1A1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL6933940 0.78 SMN1; SMN2 (0.47) ALDH1A1SLC2A1NCEH1SMN1; SMN2NPC1
SCHEMBL29372061 0.77 ELANE (0.50) ALDH1A1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL20398449 0.77 ELANE (0.50) ALDH1A1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL3041845 0.76 HPGD (0.53) ALDH1A1KMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5963023 0.76 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2MAPTLMNA

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-0014455-A2 Cyclopropane(thiol)carboxylic-acid esters, processes for their preparation, pesticides containing such compounds and the use of such compounds as pesticides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-08-20 — — EP disclosed
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