SCHEMBL9829639

SCHEMBL9829639

CSCCC(C)(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 2/20 0.42
EPHX1 P07099 1/20 0.42
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL9829642 1.00 POLB (0.50) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9830746 0.88 NPC1 (0.44) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9830749 0.88 NPC1 (0.44) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL12471403 0.83 POLB (0.54) POLBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL15524616 0.81 NAALAD2 (0.59) POLBNPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL2789685 0.81 HCAR2 (0.36) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL17825491 0.80 POLB (0.51) POLBNPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL22832249 0.80 POLB (0.51) POLBNPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL9828829 0.79 POLB (0.57) POLBNPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL28456818 0.79 POLB (0.57) POLBNPC1RAB9ASMN1; SMN2CYP2C9

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed