SCHEMBL21276573

SCHEMBL21276573

CCCNC(=O)C(C)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
CTSK P43235 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
CAPN1 P07384 1/20 0.46
CAPN2 P17655 1/20 0.46
CTSL P07711 3/20 0.46
CTSS P25774 3/20 0.46
CTSB P07858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 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
SCHEMBL10957418 0.82 CYP1A2 (0.58) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL11702018 0.82 CYP1A2 (0.58) CTSKCAPN1CAPN2CTSLCTSS
SCHEMBL13379710 0.81 ALDH1A1 (0.53) ALDH1A1KMT2ACTSKSMN1; SMN2CYP2D6
SCHEMBL939536 0.81 ALDH1A1 (0.64) ALDH1A1KMT2AHPGDCTSKLMNA
SCHEMBL10453620 0.80 CA2 (0.66) KMT2AMEN1CTSKLMNACAPN1
SCHEMBL29861085 0.80 ABCB1 (0.48) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL733157 0.80 LMNA (0.71) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL21077552 0.79 ALDH1A1 (0.50) POLBALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL20434152 0.79 ALDH1A1 (0.50) POLBALDH1A1KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL27543692 0.78 LMNA (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA

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
US-10383564-B2 Indicator panels for incontinence products PIXIE SCIENTIFIC, LLC (US) 2019-08-20 US disclosed