SCHEMBL8728437

SCHEMBL8728437

CCOC(=O)Cc1ccc2c(c1)CC(CC(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
CYP4Z1 Q86W10 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TBXA2R P21731 5/20 0.40
LDHA P00338 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAPT P10636 1/20 0.37
LDHB P07195 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL11528818 0.88 TBXA2R (0.42) CYP4Z1NPC1PKMNFKB1RAB9A
SCHEMBL24650439 0.82 CA1 (0.41) CYP4Z1NPC1PKMNFKB1RAB9A
SCHEMBL14457829 0.82 FFAR1 (0.42) FFAR1TBXA2RITGB3ITGA2BDRD3
SCHEMBL11527975 0.80 SMN1; SMN2 (0.39) CYP4Z1NPC1PKMNFKB1RAB9A
SCHEMBL8728441 0.79 SMN1; SMN2 (0.39) CYP4Z1NPC1PKMNFKB1RAB9A
Methane SCHEMBL11529454 0.79 SMN1; SMN2 (0.39) CYP4Z1NPC1PKMNFKB1RAB9A
SCHEMBL8728448 0.78 TBXA2R (0.71) PKMTBXA2R
SCHEMBL8730081 0.77 TBXA2R (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1TBXA2R
SCHEMBL31478141 0.77 LMNA (0.46) CYP4Z1NPC1PKMNFKB1RAB9A
SCHEMBL6834905 0.76 DRD3 (0.48) CYP4Z1NPC1PKMNFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750524-A ADMINISTERING AN SULFAMIDE SUBSTITUTED INDAN DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0773019-A1 HYPERLIPEMIA REMEDY ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed
EP-0589037-B1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-05-29 EP disclosed
US-5409956-A A sulfonylaminoalkylindan carboxylic acid or ester for treating thrombosis, vasospasm or asthma ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0589037-A1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1994-03-30 EP disclosed