SCHEMBL5081875

SCHEMBL5081875

NSc1cccc2c1C(=O)N(SC1CCCCC1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ HPGD P15428 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ MC4R P32245 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.33
▸ PABPC1 P11940 2/20 0.33
▸ HTR2B P41595 2/20 0.32
▸ TMEM97 Q5BJF2 2/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ BCL2 P10415 2/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 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
SCHEMBL12520704 0.81 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL29373092 0.79 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL79946 0.79 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10MAPTPKM
Hydrogen Sulfide SCHEMBL12520703 0.78 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10MAPTPKM
Phthalic Acid SCHEMBL10456681 0.69 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL20798164 0.67 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL22092085 0.67 ALDH1A1 (0.71) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL22239347 0.63 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL10932472 0.62 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL9538635 0.61 DPP4 (0.49) ALDH1A1DDB1CRBNMEN1KMT2A

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
EP-1930184-A1 Tire with apex containing in-situ resin and rubber with pendant hydroxyl groups THE GOODYEAR TIRE & RUBBER COMPANY (US) 2008-06-11 — — EP disclosed
Send feedback