SCHEMBL8700176

SCHEMBL8700176

COC(=O)c1cc2cc(OCC(OC)OC)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 10/20 0.50
▸ TAS1R1 Q7RTX1 10/20 0.50
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAOB P27338 4/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 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
SCHEMBL9989067 0.82 MAOB (0.55) TAS1R3TAS1R1MAPTLMNATSHR
SCHEMBL446971 0.81 TAS1R3 (0.64) TAS1R3TAS1R1MAPTGAASMN1; SMN2
SCHEMBL10957540 0.80 CA12 (0.56) TAS1R3TAS1R1MAPTLMNATSHR
SCHEMBL8696625 0.77 FLT3 (0.76) TAS1R3TAS1R1MAPTPOLBGAA
SCHEMBL8696630 0.76 ATM (0.59) MAPTTSHRSMN1; SMN2HPGD
SCHEMBL445130 0.75 KDM4E (0.55) TSHRSMN1; SMN2MAOBKDM4EALDH1A1
SCHEMBL6594555 0.74 TAS1R3 (0.44) TAS1R3TAS1R1MAPTLMNAGAA
SCHEMBL9048693 0.74 PIM1 (0.49) TAS1R3TAS1R1MAPTPOLBMAOB
SCHEMBL22906927 0.74 XDH (0.43) MAPTLMNATSHRGAAKDM4E
SCHEMBL29547331 0.74 XDH (0.43) MAPTLMNATSHRGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 — — US disclosed
EP-0703911-B1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1997-07-02 — — EP disclosed
US-5627200-A β3 -Adrenoceptor agonists and antagonists for the treatment of intestinal motility disorders, depression, prostate disease and dyslipidemia PFIZER INC (US) 1997-05-06 — — US disclosed
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