SCHEMBL8422003

SCHEMBL8422003

C=CCOc1ccc(C(=O)O)c(CCCOCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HPSE Q9Y251 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MTNR1A P48039 2/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PTPN1 P18031 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PTPN11 Q06124 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL8998797 0.83 KDM4E (0.49) POLBKDM4EPKMALDH1A1MTNR1A
SCHEMBL27367638 0.81 GAA (0.46) POLBKDM4EPKMALDH1A1MTNR1A
SCHEMBL8422001 0.79 PLA2G2D (0.46) POLBKDM4EALDH1A1GAATSHR
SCHEMBL986651 0.75 KDM4E (0.48) KDM4EPKMALDH1A1TSHRPTPN1
SCHEMBL947522 0.75 GABRP (0.51) KDM4EHPSEALDH1A1RARARARB
SCHEMBL5390124 0.74 GAA (0.53) POLBKDM4EPKMALDH1A1GAA
SCHEMBL27726801 0.74 PTPN11 (0.55) RARBGAATSHRPTPN11
SCHEMBL15344614 0.74 PTPN11 (0.54) HPSERARARARBTSHRPTPN11
SCHEMBL11243320 0.74 AKR1C3 (0.44) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL1607883 0.74 GAA (0.49) POLBKDM4EPKMALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed