SCHEMBL13176926

SCHEMBL13176926

C=C(O)COc1ccc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL8161005 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL2113005 0.83 PTGDR2 (0.64) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL3032640 0.82 HPGD (0.56) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL16220554 0.79 MEN1 (0.59) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL5742045 0.78 MEN1 (0.57) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL2096772 0.78 KMT2A (0.53) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL293026 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL891407 0.77 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2AHPGDMAPT
SCHEMBL16263507 0.77 MAPT (0.43) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL12883303 0.77 MEN1 (0.56) SMN1; SMN2MEN1KMT2AHPGDLMNA

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-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 — — EP disclosed
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