SCHEMBL3672379

SCHEMBL3672379

O=C(O)n1c(C(F)(F)F)cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
PLA2G10 O15496 1/20 0.40
NOTUM Q6P988 1/20 0.39
PDGFRB P09619 3/20 0.38
KDR P35968 3/20 0.38
PPARG P37231 1/20 0.38
CCR2 P41597 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NR1H2 P55055 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
OXER1 Q8TDS5 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL28007095 0.83 HDAC10 (0.46) DAOMCL1ALDH1A1TSHRKDM4E
SCHEMBL3843739 0.77 DAO (0.46) DAOMCL1ALDH1A1TSHRPDGFRB
SCHEMBL20037212 0.76 L3MBTL1 (0.59) ALDH1A1CCR2L3MBTL1KDM4EHSD17B10
SCHEMBL4467286 0.74 DAO (0.47) DAOMCL1ALDH1A1TSHRPDGFRB
SCHEMBL4551133 0.74 DAO (0.51) DAOMCL1ALDH1A1TSHRPLA2G10
SCHEMBL3638561 0.73 DAO (0.65) DAOMCL1ALDH1A1TSHRPLA2G10
SCHEMBL17422801 0.73 DAO (0.46) DAOMCL1ALDH1A1TSHRPDGFRB
SCHEMBL5967722 0.73 MCL1 (0.49) DAOMCL1ALDH1A1TSHRKDM4E
SCHEMBL29780995 0.73 DAO (0.65) DAOMCL1ALDH1A1TSHRPLA2G10
SCHEMBL30343692 0.73 MCL1 (0.49) DAOMCL1ALDH1A1TSHRKDM4E

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
EP-2164828-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION Amgen Inc. (US) 2010-03-24 EP disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 WO disclosed