SCHEMBL8466685

SCHEMBL8466685

O=C(O)c1c(F)c(F)c(C(F)(F)F)c(F)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GPR35 Q9HC97 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL10606616 0.93 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMEN1KMT2AGPR35
SCHEMBL22115216 0.88 SMN1; SMN2 (0.44) SMN1; SMN2TSHRMEN1KMT2AGPR35
SCHEMBL29008337 0.86 SMN1; SMN2 (0.38) SMN1; SMN2TSHRMEN1KMT2AGPR35
SCHEMBL31542028 0.86 SMN1; SMN2 (0.38) SMN1; SMN2TSHRMEN1KMT2AGPR35
SCHEMBL8004141 0.86 SMN1; SMN2 (0.34) SMN1; SMN2TSHRMEN1KMT2ACRHBP
SCHEMBL8006569 0.86 SMN1; SMN2 (0.34) SMN1; SMN2TSHRMEN1KMT2ACRHBP
SCHEMBL5076184 0.86 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMEN1KMT2AGPR35
SCHEMBL31542027 0.85 SMN1; SMN2 (0.41) SMN1; SMN2TSHRMEN1KMT2AGPR35
SCHEMBL27956970 0.84 SMN1; SMN2 (0.41) SMN1; SMN2TSHRMEN1KMT2AGPR35
SCHEMBL14322147 0.83 SMN1; SMN2 (0.39) SMN1; SMN2TSHRMEN1KMT2AGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741122-B1 Process for preparing aromatic compounds through decarboxylation of aromatic carboxylic acids CLARIANT GMBH (DE) 1999-08-25 EP disclosed
US-5739388-A Process for the preparation of aromatic compounds by decarboxylation of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0741122-A1 Process for preparing aromatic compounds through decarboxylation of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-06 EP disclosed