SCHEMBL31661815

SCHEMBL31661815

CCCCCCCCCC(NC(=O)C=Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.61
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
HDAC3 O15379 4/20 0.54
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
NOS2 P35228 3/20 0.50
PPARG P37231 1/20 0.50
CNR2 P34972 2/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46

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
SCHEMBL26222748 0.99 EGFR (0.59) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
SCHEMBL22994338 0.89 ALDH1A1 (0.57) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
SCHEMBL6694861 0.85 NOS2 (0.51) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
SCHEMBL28977231 0.85 NOS2 (0.51) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
SCHEMBL6694863 0.85 NOS2 (0.51) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
SCHEMBL6713032 0.85 NOS2 (0.51) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
SCHEMBL19210262 0.84 ALDH1A1 (0.69) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
SCHEMBL30743600 0.84 NOS2 (0.52) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
SCHEMBL28737142 0.83 TDP1 (0.59) EGFRTAS1R3TAS1R1HDAC3ALDH1A1
Chloromethane SCHEMBL29179050 0.83 ALDH1A1 (0.51) EGFRTAS1R3TAS1R1HDAC3ALDH1A1

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-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO disclosed