SCHEMBL9001209

SCHEMBL9001209

CC1=CC(=O)CC(C)(C(F)(F)F)C1O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6557553 0.77 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ATSHR
SCHEMBL5606210 0.77 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ATSHR
SCHEMBL14458137 0.77 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ATSHR
SCHEMBL9001241 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHR
SCHEMBL31756580 0.74 MAPK1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL9001249 0.64 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL19649525 0.63 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ATSHR
SCHEMBL14458046 0.63 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ATSHR
SCHEMBL31756597 0.63 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL9001293 0.63 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A

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-5481034-A STABILITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-01-02 US disclosed