SCHEMBL8460862

SCHEMBL8460862

O=C(O)c1cccc(C2(F)CC2c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.43
TSHR P16473 1/20 0.43
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CBS P35520 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.39
SRD5A2 P31213 1/20 0.36
PDE5A O76074 1/20 0.35
CCR2 P41597 2/20 0.35
SSTR3 P32745 1/20 0.35
RPA1 P27694 1/20 0.35
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35

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
SCHEMBL8461900 0.86 TSHR (0.46) KMOTSHRSLC6A4SLC6A2SLC6A3
SCHEMBL28976679 0.70 KMO (0.54) KMO
SCHEMBL30281285 0.70 KMO (0.54) KMO
SCHEMBL23705007 0.68 CA12 (0.42) KMOTSHR
SCHEMBL8036369 0.68 MAOB (0.42) TSHRSRD5A2
SCHEMBL8034546 0.68 RXRA (0.36) TSHRRXRA
SCHEMBL3653503 0.68 KMO (0.54) KMO
SCHEMBL25497742 0.67 CCR2 (0.43) KMOCCR2
SCHEMBL29877940 0.67 CA12 (0.47) KMOTSHR
SCHEMBL23704956 0.67 CA12 (0.41) KMO

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-0915831-A1 NOVEL METHOD FOR PREPARING AROMATIC AMIDES AND INTERMEDIATES THEREFOR Hoechst Schering AgrEvo S.A. (FR) 1999-05-19 EP disclosed
WO-1998003470-A1 NOVEL METHOD FOR PREPARING AROMATIC AMIDES AND INTERMEDIATES THEREFOR HOECHST SCHERING AGREVO S.A. (FR) 1998-01-29 WO disclosed