SCHEMBL9146331

SCHEMBL9146331

O=Cc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP2A6 P11509 1/20 0.39
RAB9A P51151 1/20 0.38
DRD1 P21728 1/20 0.37
ALDH1A3 P47895 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
STS P08842 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
SCHEMBL9144314 1.00 MAPT (0.45) MAPTUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL3045965 0.93 ALDH1A1 (0.42) MAPTUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL8546197 0.90 ALDH1A1 (0.45) MAPTUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL3032947 0.86 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7165972 0.86 MAPT (0.44) MAPTUSP2TSHRALDH1A1SMN1; SMN2
SCHEMBL896329 0.83 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2020660 0.82 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL245370 0.79 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8615342 0.78 USP2 (0.48) MAPTUSP2TSHRLMNAKMT2A
SCHEMBL8614485 0.78 USP2 (0.48) MAPTUSP2TSHRLMNAKMT2A

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-5393758-A Bactericides, microbiocides LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1995-02-28 US disclosed