SCHEMBL6933646

SCHEMBL6933646

CCCc1c(OCc2ccccc2)ccc(C(N)=O)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CTSD P07339 1/20 0.48
RXRA P19793 1/20 0.47
PARP1 P09874 1/20 0.47
ATM Q13315 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDE4D Q08499 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44

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
SCHEMBL6936538 0.90 PTGER1 (0.50) CTSDRXRAATMNPC1RAB9A
SCHEMBL6938240 0.88 CTSD (0.48) LMNACTSDRXRANPC1RAB9A
SCHEMBL8941387 0.79 CYSLTR2 (0.59) LTB4RLTB4R2LMNASMN1; SMN2MAPT
SCHEMBL9196138 0.79 LTB4R (0.57) LTB4RLTB4R2LMNAHDAC6MAPT
SCHEMBL9196144 0.79 LTB4R (0.60) LTB4RLTB4R2
SCHEMBL10808344 0.78 MAPT (0.55) LMNACTSDSMN1; SMN2MAPT
SCHEMBL30184648 0.77 PARP1 (0.54) HTTPARP1SMN1; SMN2KDM4EMAPT
SCHEMBL9706858 0.77 LTB4R (0.55) LTB4RLTB4R2LMNAHDAC6MAPT
SCHEMBL6933049 0.77 CTSD (0.58) LMNACTSDHPGDSMN1; SMN2MAPT
SCHEMBL19705426 0.77 CTSD (0.46) LMNACTSDNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed