SCHEMBL9304904

SCHEMBL9304904

O=C1OC(c2ccccc2)(c2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.54
GOPC Q9HD26 1/20 0.54
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
HSP90AA1 P07900 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
TYMS P04818 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7635908 0.97 CFTR (0.56) CFTRGOPCCHRM2CHRM4GAA
SCHEMBL21922362 0.87 CHRM2 (0.45) CFTRGOPCCHRM2CHRM4GAA
SCHEMBL10029374 0.81 CFTR (0.52) CFTRGOPCCHRM2CHRM4GAA
SCHEMBL11228322 0.75 CES1 (0.42) CFTRGOPCCHRM2CHRM4GAA
SCHEMBL28602015 0.74 HPGD (0.36) CFTRGOPCCHRM2CHRM4ALDH1A1
SCHEMBL28548234 0.72 HCAR2 (0.53) CFTRGOPCCHRM2CHRM4ALDH1A1
SCHEMBL12249757 0.72 CFTR (0.42) CFTRGOPCCHRM2CHRM4GAA
SCHEMBL11263455 0.72 PTGER3 (0.50) CFTRGOPCCHRM2CHRM4GAA
SCHEMBL3886398 0.70 CFTR (1.00) CFTRGOPCGAAPKMHSP90AA1
SCHEMBL13326236 0.70 CFTR (0.41) CFTRGOPCCHRM2CHRM4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110585165-B Abuse resistant capsules R·P·谢勒技术有限公司 2022-08-12 CN claimed
CN-110585165-B Abuse resistant capsules R·P·谢勒技术有限公司 2022-08-12 CN disclosed
CN-112770779-B Cellulose composition, tablet and orally disintegrating tablet 旭化成株式会社 2022-07-22 CN disclosed
CN-109970708-B Cannabinoid receptor modulators 艾尼纳制药公司 2022-06-21 CN disclosed
CN-112996850-B Cellulose composition and tablet 旭化成株式会社 2022-06-03 CN disclosed
US-5326887-A Reacting ester of alpha hydroxy acid oligomer over fixed bed catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-05 US disclosed
WO-1992015572-A1 PROCESS FOR THE PREPARATION OF 1,4-DIOXANE-2,5-DIONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed