SCHEMBL9516561

SCHEMBL9516561

O=C(CCl)c1cc(F)c(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
HPGD P15428 5/20 0.51
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
GSK3B P49841 3/20 0.47
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.42
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL8427347 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1HIF1AHPGDPOLB
SCHEMBL2795538 0.83 GSK3B (0.44) ALDH1A1MAPK1HIF1AHPGDPOLB
SCHEMBL9227041 0.82 POLB (0.51) HPGDPOLBAPEX1SMN1; SMN2NPC1
SCHEMBL3921010 0.82 POLB (0.47) HPGDPOLBAPEX1SMN1; SMN2NPC1
SCHEMBL9226589 0.80 POLB (0.50) ALDH1A1HPGDPOLBAPEX1SMN1; SMN2
SCHEMBL9275403 0.79 POLB (0.49) ALDH1A1MAPK1HPGDPOLBAPEX1
SCHEMBL8055152 0.78 POLB (0.55) HPGDPOLBAPEX1SMN1; SMN2NPC1
SCHEMBL488780 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1HIF1AHPGDSMN1; SMN2
SCHEMBL5704428 0.76 GSK3B (0.43) ALDH1A1MAPK1HIF1AHPGDPOLB
SCHEMBL9186659 0.76 GAA (0.56) ALDH1A1HPGDPOLBAPEX1SMN1; SMN2

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-0411252-B1 Process for the preparation of fluorobenzoic acids RIEDEL DE HAEN AG (DE) 1993-11-03 EP disclosed
US-5093529-A Process for the preparation of fluorinated benzoic acids CASSELLA AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
EP-0411252-A1 Process for the preparation of fluorobenzoic acids RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-02-06 EP disclosed