SCHEMBL9812167

SCHEMBL9812167

CCC(OB(O)O)(c1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
AOC3 Q16853 1/20 0.31
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL8006487 0.81 LMNA (0.35) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8006470 0.73 LMNA (0.33) ALDH1A1LMNAAOC3SLC6A9SLC6A5
SCHEMBL8016538 0.69 FAAH (0.35) ALDH1A1LMNASLC6A9HPGDMEN1
SCHEMBL8715292 0.67 ALDH1A1 (0.31) ALDH1A1LMNAHPGDMEN1KMT2A
Tromethamine SCHEMBL9812164 0.66 S1PR1 (0.35)
Alcohol SCHEMBL4003601 0.64 ESR1 (0.54) ALDH1A1LMNAAOC3HPGDIDO1
SCHEMBL9812166 0.64 SMN1; SMN2 (0.35) ALDH1A1USP2RAB9AMEN1KMT2A
SCHEMBL8006468 0.62 IDO1 (0.32) ALDH1A1LMNAAOC3SLC6A9HPGD
SCHEMBL5145649 0.61 TSHR (0.38) RAB9A
SCHEMBL6935611 0.61 CYP3A4 (0.50) ALDH1A1LMNAUSP2RAB9AMEN1

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
EP-0434437-A2 Photohardenable or thermohardenable compositions and photosensitive materials utilising such photohardenable compositions THE MEAD CORPORATION (US) 1991-06-26 EP disclosed