SCHEMBL6927648

SCHEMBL6927648

CCCCCCCCCCCCCC(Br)C(Cl)CC(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
GPR84 Q9NQS5 2/20 0.46
FFAR1 O14842 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CTSK P43235 1/20 0.40
MTNR1A P48039 1/20 0.39
MGAM O43451 5/20 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
SCHEMBL6258114 0.99 KMT2A (0.49) MEN1KMT2AMAPTPKMGPR84
SCHEMBL6261183 0.96 KMT2A (0.50) MEN1KMT2AMAPTPKMGPR84
SCHEMBL1399702 0.91 GPR84 (0.53) MEN1KMT2AMAPTPKMGPR84
SCHEMBL28860693 0.84 MEN1 (0.59) MEN1KMT2AMAPTPKMGPR84
SCHEMBL6927649 0.82 GPR84 (0.47) MEN1KMT2AMAPTPKMGPR84
SCHEMBL20377513 0.82 GPR84 (0.47) MEN1KMT2AMAPTPKMGPR84
SCHEMBL2124588 0.81 KMT2A (0.53) MEN1KMT2AMAPTPKMGPR84
SCHEMBL21067833 0.79 MEN1 (0.61) MEN1KMT2AMAPTPKMGPR84
SCHEMBL4858383 0.79 MEN1 (0.61) MEN1KMT2AMAPTPKMGPR84
SCHEMBL16862670 0.79 KDM4E (0.55) MEN1KMT2AMAPTKDM4EAPAF1

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-0952847-A4 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN INC (US) 2003-09-03 EP disclosed
US-6218167-B1 NUCLEIC ACID SEQUENCE ENCODING ESTERASE ENZYMES CHARACTERIZED BY THE ABILITY TO REMAIN STABLE AT CERTAIN TEMPERATURES, SUBSTRATE SPECIFICITIES, AND ACTIVITY PROFILE; CELLS TRANSFORMED WITH NUCLEIC ACID THERMOGEN, INC. 2001-04-17 US disclosed
US-6218163-B1 PURIFIED ESTERASE ISOLATED FROM THERMUS, BACILLUS, OR ACTINOMYCES; RESOLUTION OF RACEMIC MIXTURES/DRUGS THERMOGEN, INC. 2001-04-17 US disclosed
EP-1005556-A2 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS Thermogen, Inc. (US) 2000-06-07 EP disclosed
EP-0952847-A1 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS Thermogen, Inc. (US) 1999-11-03 EP disclosed
US-5969121-A NUCLEIC ACID SEQUENCE THAT ENCODES ESTERASE PROTEIN FOR COMMERCIAL USE THERMOGEN, INC. (US) 1999-10-19 US disclosed
WO-1998046770-A9 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS 1999-03-18 WO disclosed
WO-1998046770-A2 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN, INC. (US) 1998-10-22 WO disclosed
WO-1997025058-A1 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN, INC. (US) 1997-07-17 WO disclosed