SCHEMBL7785613

SCHEMBL7785613

CC(=O)CC(=O)OC(c1ccccn1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
STAT6 P42226 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6639011 0.83 GAA (0.43) TSHRKDM4ECYP3A4LMNAABCB11
SCHEMBL13434059 0.82 TSHR (0.54) TSHRKDM4ECYP3A4LMNAABCB11
SCHEMBL22732403 0.76 ALDH1A1 (0.58) TSHRKDM4ECYP3A4LMNAABCB11
SCHEMBL17685349 0.76 ALDH1A1 (0.58) TSHRKDM4ECYP3A4LMNAABCB11
SCHEMBL16000091 0.76 KDM4E (0.48) TSHRKDM4ECYP3A4LMNAABCB11
SCHEMBL6642094 0.75 GAA (0.47) TSHRKDM4ECYP3A4LMNAABCB11
SCHEMBL10334730 0.75 KCNA5 (0.46) TSHRKDM4ECYP3A4LMNAABCB11
SCHEMBL5402590 0.75 CRHBP (0.54) TSHRKDM4ECYP3A4LMNAESR1
SCHEMBL3292596 0.75 SLC6A3 (0.43) TSHRKDM4ECYP3A4LMNAABCB11
SCHEMBL112007 0.75 CYP3A4 (0.43) TSHRKDM4ECYP3A4LMNAABCB11

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
EP-0626406-B1 Process for preparing thermoplastic polyesters possessing high stability in the molten state GROUP S R L P (IT) 2001-10-31 EP disclosed
EP-0626406-A2 Thermoplastic polyesters possessing high stability in the molten state ENICHEM S.p.A. (IT) 1994-11-30 EP disclosed