SCHEMBL9329263

SCHEMBL9329263

COC(=O)CCCCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
TP53 P04637 1/20 0.67
HTT P42858 3/20 0.66
PLA2G4B P0C869 7/20 0.65
RARB P10826 4/20 0.61
PLA2G4A P47712 1/20 0.58
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.56
GAA P10253 1/20 0.56
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL26089107 1.00 TSHR (0.67) TSHRTP53HTTPLA2G4BRARB
SCHEMBL4209773 1.00 TSHR (0.67) TSHRTP53HTTPLA2G4BRARB
SCHEMBL4211416 0.98 TSHR (0.64) TSHRTP53HTTPLA2G4BRARB
SCHEMBL4275826 0.90 HDAC1 (0.56) TSHRHTTGAAHSD17B10
SCHEMBL28706802 0.88 GAA (0.75) TSHRTP53HTTPLA2G4BGAA
SCHEMBL28693964 0.88 GAA (0.75) TSHRTP53HTTPLA2G4BGAA
SCHEMBL28706034 0.88 GAA (0.75) TSHRTP53HTTPLA2G4BGAA
SCHEMBL4262672 0.88 MAPT (0.70) TSHRTP53HTTTDP1GAA
SCHEMBL2603390 0.86 L3MBTL1 (0.74) HTTPOLBGAA
SCHEMBL5187570 0.86 MAPT (0.72) HTTTDP1GAAHSD17B10

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
EP-0368912-B1 POLYANHYDRIDES WITH IMPROVED HYDROLYTIC DEGRADATION PROPERTIES MASSACHUSETTS INST TECHNOLOGY (US) 1994-03-16 EP disclosed
EP-0368912-A4 POLYANHYDRIDES WITH IMPROVED HYDROLYTIC DEGRADATION PROPERTIES 1990-12-19 EP disclosed
EP-0368912-A1 POLYANHYDRIDES WITH IMPROVED HYDROLYTIC DEGRADATION PROPERTIES. MASSACHUSETTS INST TECHNOLOGY (US) 1990-05-23 EP disclosed
US-4857311-A FROM P-CARBOXYPHEN(-OXY OR -YL)ALKANOIC ACID; BIODEGRADABLE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-08-15 US disclosed
WO-1989000855-A1 POLYANHYDRIDES WITH IMPROVED HYDROLYTIC DEGRADATION PROPERTIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-02-09 WO disclosed