Piperonal

Piperonal

SCHEMBL5277282

CCOC(C)OCC.O=Cc1ccc2c(c1)OCO2.OCCO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KDM4E B2RXH2 4/20 0.45
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
CYP3A4 P08684 3/20 0.44
TRPM8 Q7Z2W7 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PGR P06401 1/20 0.41

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
Piperonal SCHEMBL358063 0.93 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1CRHBPCRHR2
Piperonal SCHEMBL873083 0.92 ALDH1A1 (0.62) ALDH1A1HSD17B10TDP1CRHBPCRHR2
Piperonal SCHEMBL433405 0.86 ALDH1A1 (0.49) ALDH1A1HSD17B10TDP1CRHBPCRHR2
Piperonal SCHEMBL5839673 0.83 ALDH1A1 (0.79) ALDH1A1HSD17B10TDP1CRHBPCRHR2
Piperonal SCHEMBL6905345 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10TDP1KDM4EGABRA1
Piperonal SCHEMBL9424697 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10TDP1KDM4EGABRA1
Piperonal SCHEMBL1774149 0.79 ALDH1A1 (0.82) ALDH1A1HSD17B10TDP1KDM4EGABRA1
Isosafrole SCHEMBL5688035 0.78 CYP3A4 (0.66) ALDH1A1HSD17B10TDP1KDM4EGABRA1
Piperonal SCHEMBL27406631 0.77 ALDH1A1 (0.64) ALDH1A1HSD17B10TDP1CRHBPCRHR2
Piperonal SCHEMBL28534378 0.77 ALDH1A1 (0.85) ALDH1A1HSD17B10TDP1KDM4ECYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5626852-A HYDROLYSIS OF ACETAL AND/OR KETAL THE MENNEN COMPANY (US) 1997-05-06 US claimed
EP-1850820-A2 PROVIDING AND COMMUNICATING SYNERGIES BETWEEN ABSORBENT ARTICLES AND DISPOSABLE WIPES The Procter and Gamble Company (US) 2007-11-07 EP disclosed
WO-2006093610-A2 PROVIDING AND COMMUNICATING SYNERGIES BETWEEN ABSORBENT ARTICLES AND DISPOSABLE WIPES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO disclosed
US-20060195357-A1 Providing and communicating synergies between absorbent articles and disposable wipes THE PROCTER & GAMBLE COMPANY 2006-08-31 US disclosed