SCHEMBL3817848

SCHEMBL3817848

CCC(C)(C)P(c1ccc(C(F)(F)F)cc1)C(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 5/20 0.39
TAAR1 Q96RJ0 1/20 0.35
IDO1 P14902 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOS2 P35228 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPV6 Q9H1D0 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL2884191 0.85 KCNN4 (0.31) TSHR
SCHEMBL2550798 0.85 MEN1 (0.35) ALDH1A1TSHRKIF11TAAR1IDO1
SCHEMBL2544647 0.83 TSHR (0.41) ALDH1A1TSHRKIF11LMNATP53
SCHEMBL2549729 0.83 TRPV3 (0.33) ALDH1A1PDE2A
SCHEMBL2548483 0.80 ALDH1A1 (0.36) ALDH1A1TSHRIDO1CES2
SCHEMBL2547208 0.79 KDM4E (0.36) ALDH1A1IDO1LMNATP53CYP1A2
SCHEMBL2551861 0.79 ALDH1A1 (0.40) ALDH1A1TSHRKIF11TAAR1TRPV6
SCHEMBL14811633 0.77 ALDH1A1 (0.39) ALDH1A1TSHRKIF11TAAR1TRPV6
SCHEMBL2884978 0.77 HTR2A (0.39) TSHRTAAR1IDO1LMNACYP1A2
SCHEMBL2544920 0.77 TSHR (0.37) ALDH1A1TSHRIDO1LMNAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552928-B1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST. CHROMAFORA AB (SE) 2015-04-15 EP disclosed
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed