SCHEMBL9577885

SCHEMBL9577885

CCC(=O)C(=O)c1ccco1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.65
CES1 P23141 2/20 0.65
PTPN1 P18031 1/20 0.59
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 5/20 0.47
POLB P06746 5/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
APEX1 P27695 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL5013142 0.82 CES2 (0.57) CES2CES1PTPN1NPC1RAB9A
SCHEMBL574955 0.81
SCHEMBL28703859 0.81 CES2 (0.61) CES2CES1PTPN1NPC1TP53
SCHEMBL27188906 0.81 CES2 (0.61) CES2CES1PTPN1NPC1TP53
SCHEMBL15233 0.80 CES2 (1.00) CES2CES1PTPN1RAB9AERCC5
SCHEMBL2155972 0.80 CES2 (1.00) CES2CES1PTPN1RAB9AERCC5
SCHEMBL11776695 0.80 CES2 (0.65) CES2CES1PTPN1NPC1RAB9A
SCHEMBL11537332 0.79 CES2 (0.41) CES2CES1PTPN1NPC1RAB9A
SCHEMBL28189603 0.79 CES2 (0.57) CES2CES1PTPN1RAB9AGAA
Ammonia Solution, Strong SCHEMBL11456969 0.78 CES2 (0.95) CES2CES1PTPN1RAB9AERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4861727-A Luminescent oxygen sensor based on a lanthanide complex C. R. BARD, INC. (US) 1989-08-29 US claimed
EP-0259951-A2 Luminescent oxygen sensor based on a lanthanide complex C.R. BARD, INC. (US) 1988-03-16 EP claimed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-5190729-A Luminescent oxygen sensor based on a lanthanide complex C. R. BARD, INC. (US) 1993-03-02 US disclosed
US-4900933-A Excitation and detection apparatus for remote sensor connected by optical fiber C. R. BARD, INC. (US) 1990-02-13 US disclosed
US-4861727-A Luminescent oxygen sensor based on a lanthanide complex C. R. BARD, INC. (US) 1989-08-29 US disclosed
EP-0283289-A2 Excitation and detection apparatus for remote sensor connected by optical fiber C.R. BARD, INC. (US) 1988-09-21 EP disclosed
EP-0259951-A2 Luminescent oxygen sensor based on a lanthanide complex C.R. BARD, INC. (US) 1988-03-16 EP disclosed
US-4143173-A Flavoring with 5-acyl-2-(furfurylthio)dihydro-2,5-dialkyl-3-[2H]furanones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-03-06 US disclosed
US-4138413-A DIMERIZING AN A,B-DIKETONE, SULFIDING INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-02-06 US disclosed
US-4126708-A FLAVORING WITH 2-ACYL-5-SUBSTITUTED THIATETRAHYDROFURAN-4-ONES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4096158-A Process for preparing 5-acyl-2-(furfurylthio)dihydro-2,5-dialkyl-3-[2H]furanones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-20 US disclosed
US-4092333-A 2-Acyl-5-substituted thiatetrahydrofuran-4-ones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-05-30 US disclosed
US-4092334-A ORGANOLEPTIC PROPERTIES, FLAVOR OR AROMA MODIFIERS FOR FOOD, TOBACCO PRODUCTS, CHEWING GUM AND MEDICINALS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-05-30 US disclosed