SCHEMBL9730408

SCHEMBL9730408

CC(C(=O)O)C(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.54
FFAR1 O14842 2/20 0.54
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
APAF1 O14727 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
PKM P14618 1/20 0.52
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MGAM O43451 2/20 0.49
GAA P10253 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
NOD2 Q9HC29 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL11372142 0.89 GPR84 (0.60) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL1893849 0.89 MEN1 (0.59) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL28177333 0.83 GPR84 (0.53) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL368690 0.82 GPR84 (0.59) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL29885154 0.82 GPR84 (0.59) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL21535360 0.81 GPR84 (0.57) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL29263805 0.81 MEN1 (0.52) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL29263804 0.81 MEN1 (0.52) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL7820062 0.79 GPR84 (0.56) GPR84FFAR1MAPTKDM4EAPAF1
SCHEMBL7573170 0.78 MAPT (0.47) GPR84FFAR1MAPTKDM4EAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079258-A Enzyme inhibitors, antiallergens treatment of asthma BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
CN-1040025-A The preparation of new Tetrahydrobenzindolederivs propionic acid sulphonamide BAYER AG (DE) 1990-02-28 CN disclosed