SCHEMBL11244530

SCHEMBL11244530

Oc1ccc(Oc2ccc(O)cc2Oc2ncccc2C(F)(F)F)c(Oc2ncccc2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ P2RY1 P47900 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ DRD1 P21728 3/20 0.40
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL11187255 0.79 ALDH1A1 (0.59) ALDH1A1MAPTATMDRD1SCN9A
SCHEMBL11123455 0.72 ALDH1A1 (0.45) ALDH1A1MAPTATMDRD1SCN9A
SCHEMBL30440802 0.71 SLC22A12 (0.55) ALDH1A1MAPTATMHTR1ASLC6A2
SCHEMBL322870 0.71 SLC22A12 (0.55) ALDH1A1MAPTATMHTR1ASLC6A2
SCHEMBL8999934 0.70 KIF11 (0.41) ALDH1A1
SCHEMBL7021224 0.70 P2RY1 (0.43) ALDH1A1MAPTATMP2RY1HTR1A
SCHEMBL8129823 0.70 ALDH1A1 (0.59) ALDH1A1MAPTATMDRD1SCN9A
SCHEMBL8237109 0.70 ALDH1A1 (0.59) ALDH1A1MAPTATMDRD1SCN9A
SCHEMBL7934892 0.69 KMT2A (0.50) ALDH1A1MAPTATMP2RY1HTR1A
SCHEMBL11221108 0.69 KDM4E (0.46) ALDH1A1

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-4325729-A Herbicidal and plant growth regulating pyridyloxy-phenoxy-propionic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-04-20 — — US disclosed
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