SCHEMBL6587706

SCHEMBL6587706

CC(=O)O[C@H](C)c1nccc(O)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ABCB11 O95342 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
STAT6 P42226 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HIF1A Q16665 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MAPT P10636 2/20 0.31
SORD Q00796 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL6294559 0.82 PANK3 (0.34) TSHRSMN1; SMN2LMNAKDM4EABCB11
SCHEMBL6294563 0.82 PANK3 (0.34) TSHRSMN1; SMN2LMNAKDM4EABCB11
SCHEMBL6588682 0.80 RAB9A (0.38) LMNAKDM4EMAPTNPC1RAB9A
SCHEMBL9737863 0.78 TSHR (0.41) TSHRSMN1; SMN2LMNAKDM4EABCB11
SCHEMBL6294557 0.76 SORD (0.32) TSHRLMNAKDM4EABCB11ESR1
SCHEMBL2705501 0.74 HRH4 (0.37) TSHRLMNACYP3A4HIF1ASORD
SCHEMBL29627962 0.72 SORD (0.45) SORD
SCHEMBL6294656 0.72 HRH4 (0.48) SORD
SCHEMBL6294658 0.72 HRH4 (0.48) SORD
SCHEMBL27918052 0.72 TSHR (0.38) TSHRSMN1; SMN2LMNAMAPTPOLB

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
EP-1041068-B1 Compounds for treating and preventing diabetic complications PFIZER PROD INC (US) 2004-04-14 EP disclosed
US-6294538-B1 ANTIDIABETIC AGENTS AND DIABETIC NEUROPATHY, TREATMENT WITH OXIDOREDUCTASE ENZYMES PFIZER INC. 2001-09-25 US disclosed
EP-1041068-A1 Compounds for treating and preventing diabetic complications Pfizer Products Inc. (US) 2000-10-04 EP disclosed