SCHEMBL7914664

SCHEMBL7914664

CC(O)C(C)(C)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.42
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5513728 0.83 NAALAD2 (0.43) NAALAD2GABRPGABRDGABRA1GABRB1
SCHEMBL21052347 0.79 CYP1A2 (0.48) NAALAD2GABRPGABRDGABRA1GABRB1
SCHEMBL19805240 0.79 GABRP (0.48) NAALAD2GABRPGABRDGABRA1GABRB1
SCHEMBL7918002 0.77 TSHR (0.42) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL27715972 0.77 NAALAD2 (0.39) NAALAD2GABRPGABRDGABRA1GABRB1
SCHEMBL1752128 0.76 NAALAD2 (0.42) NAALAD2GABRPGABRDGABRA1GABRB1
Succinic Acid SCHEMBL28832688 0.75 LMNA (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20702101 0.75 HMGCR (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11647058 0.74 CYP1A2 (0.42) NAALAD2GABRPGABRDGABRA1GABRB1
Propylene Glycol SCHEMBL9720403 0.74 ACACB (0.44) NAALAD2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056738-A1 ACID LABILE PRODRUGS Eilat, Eran (IL) 2000-12-06 EP claimed
WO-1999037634-A1 ACID LABILE PRODRUGS EILAT ERAN (IL) 1999-07-29 WO claimed
EP-1095147-A2 POLYKETIDES, THEIR PREPARATION, AND MATERIALS FOR USE THEREIN Biotica Technology Limited (GB) 2001-05-02 EP disclosed
EP-1056738-A1 ACID LABILE PRODRUGS Eilat, Eran (IL) 2000-12-06 EP disclosed
US-6030997-A Acid labile prodrugs PRODRUG, LTD. (IL) 2000-02-29 US disclosed
WO-2000001827-A2 POLYKETIDES, THEIR PREPARATION, AND MATERIALS FOR USE THEREIN BIOTICA TECHNOLOGY LIMITED (GB) 2000-01-13 WO disclosed
WO-1999037634-A1 ACID LABILE PRODRUGS EILAT ERAN (IL) 1999-07-29 WO disclosed
EP-0910633-A2 POLYKETIDES AND THEIR SYNTHESIS Biotica Technology Limited (GB) 1999-04-28 EP disclosed
WO-1998001546-A2 POLYKETIDES AND THEIR SYNTHESIS BIOTICA TECHNOLOGY LIMITED (GB) 1998-01-15 WO disclosed