SCHEMBL7993145

SCHEMBL7993145

O=C(O)C(c1ccc2c(c1)OCO2)C(O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MAPK9 P45984 1/20 0.49
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
EDNRA P25101 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
SCHEMBL7993516 0.86 EDNRA (0.59) LMNANPSR1MEN1KMT2AMAPT
SCHEMBL7975875 0.83 MAPK9 (0.61) LMNAMAPK9NPSR1MEN1KMT2A
SCHEMBL9309103 0.83 ADRB3 (0.53) LMNANPSR1MEN1KMT2AMAPT
SCHEMBL7986653 0.82 PTGS1 (0.51) LMNAMAPK9MEN1KMT2AMAPT
SCHEMBL7976072 0.82 MAPK9 (0.52) MAPK9NPSR1MEN1KMT2AALDH1A1
SCHEMBL7987319 0.80 MAPK1 (0.50) MAPK9CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL7986479 0.80 TAS1R3 (0.50) MAPK9MEN1KMT2AALDH1A1KDM4E
SCHEMBL7988098 0.78 MAPK9 (0.49) MAPK9MEN1KMT2AALDH1A1KDM4E
SCHEMBL14698841 0.78 KMT2A (0.55) LMNAMAPK9NPSR1MEN1KMT2A
SCHEMBL27396000 0.78 LMNA (0.53) LMNAMAPK9NPSR1MEN1KMT2A

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed