SCHEMBL8979014

SCHEMBL8979014

Cc1c(F)c(O)c(F)c(F)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.34
ACHE P22303 1/20 0.34
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 4/20 0.34
TAS1R2 Q8TE23 4/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 2/20 0.33
MAPT P10636 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL8374326 0.91 LDHA (0.39) ESR1LDHALDHBMEN1KMT2A
SCHEMBL29773954 0.87 ESR1 (0.39) ESR1LDHALDHBMEN1KMT2A
SCHEMBL7579018 0.87 ESR1 (0.39) ESR1LDHALDHBMEN1KMT2A
SCHEMBL22279446 0.86 LDHA (0.39) LDHALDHBMEN1KMT2ACRHBP
Water SCHEMBL9861421 0.85 ESR1 (0.38) ESR1MEN1KMT2ACRHBPCRHR2
SCHEMBL28924074 0.85 ESR1 (0.38) ESR1MEN1KMT2ACRHBPCRHR2
SCHEMBL721202 0.85 ESR1 (0.41) ESR1LDHALDHBMEN1KMT2A
SCHEMBL5586912 0.84 LDHA (0.42) LDHALDHBMEN1KMT2ACRHBP
Water SCHEMBL1285779 0.82 ESR1 (0.39) ESR1LDHALDHBMEN1KMT2A
SCHEMBL2011531 0.82 MEN1 (0.46) MEN1KMT2ACRHBPCRHR2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525258-A LOW VISCOSITY, SHORT RESPONSE TIME HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed