SCHEMBL20185561

SCHEMBL20185561

CC(C)N(CO[PH](=O)OCCCNC(=O)C(F)(F)F)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.44
CA14 Q9ULX7 2/20 0.42
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GSTO1 P78417 1/20 0.32

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
SCHEMBL3433785 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10137983 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL20185562 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10137981 0.77 MEN1 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12393230 0.77 EPHX1 (0.73) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12453390 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24173750 0.70 MEN1 (0.49) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12990147 0.70 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2883840 0.68 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.68 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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-20180148756-A1 METHODS, COMPOSITIONS, AND KITS FOR NUCLEIC ACID ANALYSIS TOMA BIOSCIENCES, INC. 2018-05-31 US disclosed