SCHEMBL9780844

SCHEMBL9780844

CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 2/20 0.51
PPARG P37231 4/20 0.51
TSHR P16473 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
HPGD P15428 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL541271 1.00 PPARA (0.68) PPARASMN1; SMN2TDP1PPARGTSHR
SCHEMBL31414363 0.98 PPARA (0.66) PPARASMN1; SMN2TDP1PPARGTSHR
SCHEMBL28921965 0.98 PPARA (0.66) PPARASMN1; SMN2TDP1PPARGTSHR
Butyric Acid SCHEMBL28317752 0.92 PPARA (0.59) PPARASMN1; SMN2TDP1PPARGTSHR
SCHEMBL10875112 0.88 PPARA (0.64) PPARASMN1; SMN2TDP1PPARGTSHR
SCHEMBL30100912 0.88 PPARA (0.57) PPARASMN1; SMN2TDP1PPARGTSHR
SCHEMBL11212441 0.88 POLB (0.63) PPARASMN1; SMN2PPARGTSHRPOLB
SCHEMBL31503199 0.87 PPARA (0.71) PPARASMN1; SMN2TDP1PPARGTSHR
SCHEMBL12667925 0.86 SMN1; SMN2 (0.55) PPARASMN1; SMN2TDP1TSHRCYP1A2
SCHEMBL2597640 0.86 TSHR (0.66) PPARASMN1; SMN2PPARGTSHRPOLB

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
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed