SCHEMBL3934708

SCHEMBL3934708

CCOC(=O)N1CCCC1C(O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TACR1 P25103 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CETP P11597 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
DUT P33316 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18675855 0.82 LMNA (0.66) LMNAKDM4EMEN1KMT2ADUT
SCHEMBL15456860 0.82 LMNA (0.66) LMNAKDM4EMEN1KMT2ADUT
SCHEMBL15456867 0.79 LMNA (0.49) LMNAALDH1A1MEN1KMT2A
SCHEMBL26398497 0.74 LMNA (0.55) LMNAKDM4EMEN1KMT2ADUT
SCHEMBL26398494 0.74 LMNA (0.55) LMNAKDM4EMEN1KMT2ADUT
SCHEMBL9912519 0.74 RAB9A (0.40) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9911562 0.69 FKBP1A (0.38) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20600130 0.68 TMEM97 (0.47) TACR1ALDH1A1MEN1KMT2A
SCHEMBL20600128 0.68 TMEM97 (0.47) TACR1ALDH1A1MEN1KMT2A
SCHEMBL18790615 0.67 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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
WO-2009013553-A1 METHOD FOR RECOVERING DIPHENYLPROLINOL TYPE CATALYSTS WITH PHASE-TAG GROUPS, NEW CATALYSTS RECOVERABLE BY THIS METHOD AND THEIR USE H4 SEP KFT (HU) 2009-01-29 WO disclosed