SCHEMBL7987577

SCHEMBL7987577

O=C(O)C(c1ccc2c(c1)OCO2)C(O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK9 P45984 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 2/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL7975974 0.93 MAPK9 (0.49) NPC1RAB9AHPGDSMN1; SMN2MAPK9
SCHEMBL7987483 0.81 MAPK9 (0.49) NPC1RAB9AHPGDTP53NFKB1
SCHEMBL7976824 0.81 HPGD (0.46) NPC1RAB9AHPGDTP53NFKB1
SCHEMBL7993759 0.80 MME (0.52) HPGDKDM4ETDP1HTTTSHR
SCHEMBL7975878 0.79 TRPM8 (0.44) NPC1RAB9AHPGDTP53NFKB1
SCHEMBL7990464 0.78 MAPK9 (0.54) NPC1RAB9AHPGDSMN1; SMN2MAPK9
SCHEMBL7975874 0.77 RXFP1 (0.44) NPC1RAB9AHPGDTP53NFKB1
SCHEMBL7990600 0.76 SLC6A2 (0.43) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL11161417 0.76 MAPK9 (0.51) HPGDMAPK9PTGS1PTGS2KMT2A
SCHEMBL7987498 0.75 RAB9A (0.48) NPC1RAB9AHPGDKDM4EKMT2A

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