SCHEMBL9013440

SCHEMBL9013440

CCC(NC(N)=O)=C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
ALOX15 P16050 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TAS2R38 P59533 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
SCHEMBL472247 1.00 CRBN (0.42) CRBNFFAR3ALDH1A1TDP1THRB
SCHEMBL5672699 0.84 CRBN (0.44) CRBNALDH1A1TDP1ALOX15MAPT
SCHEMBL28432717 0.83 CRBN (0.30) CRBN
SCHEMBL2189435 0.83 CRBN (0.39) CRBNFFAR3THRBFNTAFNTB
SCHEMBL1011842 0.82 FFAR3 (0.35) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL8472102 0.77 ALDH1A1 (0.36) FFAR3ALDH1A1TDP1THRBFNTA
SCHEMBL19988063 0.77 CRBN (0.50) CRBNFFAR3ALOX15TAS2R38
SCHEMBL27248414 0.76 ALOX15 (0.40) CRBNALDH1A1ALOX15MAPTRAB9A
SCHEMBL9317787 0.75 SMN1; SMN2 (0.31) ALDH1A1
SCHEMBL844488 0.75 TDP1 (0.36) FFAR3ALDH1A1TDP1THRBFNTA

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-5539054-A THERMOPLASTIC RESIN AND N-VINYL LACTAM COPOLYMERS WITH TENSILE AND IMPACT STRENGTH ROHM AND HAAS COMPANY (US) 1996-07-23 US disclosed