SCHEMBL15085652

SCHEMBL15085652

Cc1cc(C=O)c(C)c(C)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
TSHR P16473 2/20 0.38
ERN1 O75460 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL25877534 0.82 ALDH1A1 (0.38) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL5366778 0.79 ALDH1A1 (0.39) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL1313141 0.78 ALDH1A1 (0.42) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL10383900 0.74 ALDH1A1 (0.39) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL6903841 0.74 ERN1 (0.39) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL17408849 0.73 ALDH1A1 (0.38) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL9712522 0.73 CYP3A4 (0.40) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL10325195 0.73 ERN1 (0.52) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL19682793 0.73 ERN1 (0.47) ALDH1A1TSHRERN1SMN1; SMN2GRIA1
SCHEMBL5233407 0.73 ALDH1A1 (0.43) ALDH1A1TSHRERN1SMN1; SMN2GRIA1

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
US-9376413-B1 Succinic anhydrides from epoxides CORNELL UNIVERSITY (US) 2016-06-28 US disclosed
US-8921581-B1 Succinic anhydrides from epoxides CORNELL RESEARCH FOUNDATION, INC. (US) 2014-12-30 US disclosed
US-8481756-B1 Succinic anhydrides from epoxides CORNELL RESEARCH FOUNDATION, INC. (US) 2013-07-09 US disclosed