SCHEMBL9749909

SCHEMBL9749909

C=C1c2ccccc2COc2cc(CC(=O)O)ccc21

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.74
HRH1 P35367 4/20 0.57
LMNA P02545 1/20 0.54
TBXA2R P21731 3/20 0.48
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44

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
SCHEMBL9749932 0.90 HRH1 (0.66) AKR1B1HRH1LMNATBXA2R
SCHEMBL31254018 0.89 AKR1B1 (0.82) AKR1B1HRH1LMNATBXA2RLTB4R
Oxepinac SCHEMBL106088 0.85 AKR1B1 (1.00) AKR1B1HRH1LMNA
Oxepinac SCHEMBL31563425 0.85 AKR1B1 (1.00) AKR1B1HRH1LMNA
SCHEMBL9749904 0.85 AKR1B1 (0.55) AKR1B1HRH1LMNA
Isoxepac SCHEMBL24970 0.77 AKR1B1 (0.81) AKR1B1HRH1LMNA
Isoxepac SCHEMBL29588437 0.77 AKR1B1 (0.81) AKR1B1HRH1LMNA
SCHEMBL5060821 0.77 AKR1B1 (0.64) AKR1B1HRH1LMNA
SCHEMBL5060820 0.77 AKR1B1 (0.64) AKR1B1HRH1LMNA
SCHEMBL9750101 0.77 AKR1B1 (0.64) AKR1B1HRH1LMNA

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-5116863-A Antiallergens, antiinflammatory agents; asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed