SCHEMBL27729620

SCHEMBL27729620

NC(=O)c1ncc(C(=O)O)nc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIRT6 Q8N6T7 2/20 0.42
TSHR P16473 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
MC4R P32245 1/20 0.39
ADRA1A P35348 1/20 0.39
MC3R P41968 1/20 0.39
AKR1B1 P15121 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.36
NAPRT Q6XQN6 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PLAU P00749 2/20 0.36
MAP2K3 P46734 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ACMSD Q8TDX5 1/20 0.35

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
SCHEMBL2806249 0.87 ALDH1A1 (0.50) ALDH1A1ALOX15HPGDHSD17B10SIRT6
SCHEMBL3286589 0.81 SIRT6 (0.47) ALDH1A1SIRT6TSHRADORA3MC4R
SCHEMBL17501714 0.79 AKR1B1 (0.49) ALDH1A1ALOX15HPGDHSD17B10SIRT6
SCHEMBL9401880 0.78 ALDH1A1 (0.43) ALDH1A1ALOX15HPGDHSD17B10SIRT6
Hydrochloric Acid SCHEMBL9401842 0.77 ALDH1A1 (0.42) ALDH1A1ALOX15HPGDHSD17B10SIRT6
SCHEMBL27751225 0.73 ALDH1A1 (0.46) ALDH1A1ALOX15HPGDHSD17B10TSHR
SCHEMBL10335107 0.73 ALOX15 (0.46) ALDH1A1ALOX15HPGDHSD17B10TSHR
SCHEMBL17712841 0.73 SIRT6 (0.64) ALDH1A1ALOX15HPGDHSD17B10SIRT6
SCHEMBL2804132 0.73 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10TSHRADORA3
SCHEMBL22544545 0.72 SIRT6 (0.39) ALDH1A1SIRT6TSHRADORA3MC4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN disclosed
CN-101347389-A Cosmetic or pharmaceutical composition comprising a condensation polymer, cosmetic treatment method, condensation polymer and preparation method OREAL (FR) 2009-01-21 CN disclosed