SCHEMBL7167780

SCHEMBL7167780

COP(=O)(OC)OCC(=O)C(C)(C)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.41
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 7/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PPARD Q03181 2/20 0.36
CYP2C9 P11712 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL11637275 0.85 ALDH1A1 (0.43) PPARGALDH1A1PPARAMAPTKDM4E
SCHEMBL9255616 0.79 PPARG (0.43) PPARGALDH1A1PPARAMAPTKDM4E
SCHEMBL11684026 0.77 VDR (0.39) PPARGALDH1A1PPARACYP2C19CYP1A2
SCHEMBL1618680 0.75 PPARG (0.44) PPARGALDH1A1PPARAMAPTKDM4E
SCHEMBL5071825 0.74 ALOX15 (0.50) ALDH1A1CYP2C19CYP1A2MEN1KMT2A
SCHEMBL10547358 0.74 PPARG (0.43) PPARGALDH1A1PPARAMAPTKDM4E
SCHEMBL11383504 0.73 PPARG (0.46) PPARGPPARAMAPTKDM4ECYP2C19
Lithium Ion SCHEMBL9303151 0.73 PPARG (0.43) PPARGALDH1A1PPARAMAPTKDM4E
SCHEMBL10823116 0.73 PPARG (0.43) PPARGALDH1A1PPARAMAPTKDM4E
SCHEMBL10547306 0.72 ALDH1A1 (0.41) PPARGALDH1A1PPARAMAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555559-B1 Prostaglandin I2 (PGI2); use as an anti-Helicobacter agent, a platelet function potentiating agent or a cervical ripening agent; side effect reduction TORAY INDUSTRIES, INC. (JP) 2003-04-29 US disclosed
EP-1044972-A1 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI2 DERIVATIVE AND DRUGS CONTAINING THE SAME TORAY INDUSTRIES, INC. (JP) 2000-10-18 EP disclosed