SCHEMBL9866650

SCHEMBL9866650

C=CCn1c(C(F)(F)F)c(C(=O)OCC)sc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.41
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 4/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL9521586 0.81 CYP3A4 (0.36) POLBALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL9867238 0.80 HDAC3 (0.38) POLBALDH1A1HPGDKMT2AMAPT
SCHEMBL9868262 0.79 CNR2 (0.48) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL10392132 0.76 CYP3A4 (0.39) POLBALDH1A1HPGDLMNAKMT2A
SCHEMBL9521180 0.74 CYP3A4 (0.37) POLB
SCHEMBL10392131 0.71 CYP3A4 (0.41)
SCHEMBL4218274 0.67 KDM4E (0.46) POLBALDH1A1HPGDLMNAKMT2A
SCHEMBL23479896 0.66 POLB (0.48) POLBALDH1A1HPGDLMNAKMT2A
SCHEMBL8320324 0.64 ALDH1A1 (0.48) POLBALDH1A1HPGDLMNAKMT2A
SCHEMBL11392334 0.64 ALDH1A1 (0.54) POLBALDH1A1HPGDLMNAKMT2A

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-5008281-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1991-04-16 US disclosed
US-4925862-A PESTICIDES ROUSSEL UCLAF (FR) 1990-05-15 US disclosed