SCHEMBL10334641

SCHEMBL10334641

CCCOC(=O)C(OC)(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 6/20 0.42
CYP2D6 P10635 3/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 3/20 0.40
USP2 O75604 2/20 0.40
NR1I2 O75469 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL10334864 0.93 CYP3A4 (0.46) CYP3A4CYP2D6ALDH1A1POLBMEN1
SCHEMBL10334648 0.90 HTT (0.46) LMNASMN1; SMN2CYP3A4CYP2D6KMT2A
SCHEMBL10334725 0.90 NPSR1 (0.45) SMN1; SMN2CYP3A4CYP2D6ALDH1A1POLB
SCHEMBL2488944 0.88 LMNA (0.50) LMNACYP3A4CYP2D6ALDH1A1POLB
SCHEMBL10334748 0.87 SMN1; SMN2 (0.42) LMNASMN1; SMN2CYP3A4CYP2D6ALDH1A1
SCHEMBL10334657 0.85 PRKCA (0.47) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL9292634 0.84 KCNN4 (0.49) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10334190 0.81 MAPT (0.46) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10335674 0.80 RXFP1 (0.44) LMNASMN1; SMN2CYP3A4ALDH1A1MEN1
SCHEMBL27690538 0.80 CYP3A4 (0.44) LMNACYP3A4CYP2D6ALDH1A1POLB

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-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed