SCHEMBL7970964

SCHEMBL7970964

CC(C)(C)OC(=O)N1C=C(O)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ESR2 Q92731 1/20 0.38
NR1H2 P55055 2/20 0.36
MAPK1 P28482 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
ELANE P08246 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
HSD11B1 P28845 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL18651951 0.75 KDM4E (0.38) CHRM2CHRM1CHRM3ESR2NR1H2
SCHEMBL3505154 0.73 ESR2 (0.45) CHRM2CHRM1CHRM3ESR2NR1H2
SCHEMBL28627159 0.72 NR1H2 (0.39) CHRM2CHRM1CHRM3ESR2NR1H2
SCHEMBL2793465 0.72 USP2 (0.37) CHRM2CHRM1CHRM3ESR2NR1H2
SCHEMBL2980997 0.70 ESR2 (0.43) ESR2NR1H2MAPK1GPR119USP2
SCHEMBL7715248 0.69 CHRM2 (0.45) CHRM2CHRM1CHRM3ESR2NR1H2
SCHEMBL27029900 0.69 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2GPR119
SCHEMBL3629917 0.68 KDM4E (0.39) CHRM2CHRM1CHRM3MAPK1GPR119
SCHEMBL4876240 0.68 KDM4E (0.39) CHRM2CHRM1CHRM3MAPK1GPR119
SCHEMBL3714508 0.68 KDM4E (0.36) CHRM2CHRM1CHRM3ESR2NR1H2

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-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed