SCHEMBL9750101

SCHEMBL9750101

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.64
HRH1 P35367 2/20 0.57
LMNA P02545 1/20 0.57
PARP1 P09874 1/20 0.45

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
SCHEMBL5060821 1.00 AKR1B1 (0.64) AKR1B1HRH1LMNAPARP1
SCHEMBL5060820 1.00 AKR1B1 (0.64) AKR1B1HRH1LMNAPARP1
SCHEMBL5056479 0.94 AKR1B1 (0.61) AKR1B1HRH1LMNAPARP1
SCHEMBL5056486 0.94 AKR1B1 (0.61) AKR1B1HRH1LMNAPARP1
SCHEMBL9749982 0.94 AKR1B1 (0.61) AKR1B1HRH1LMNAPARP1
SCHEMBL5056472 0.92 HRH1 (0.66) AKR1B1HRH1LMNAPARP1
SCHEMBL5056474 0.92 HRH1 (0.66) AKR1B1HRH1LMNAPARP1
SCHEMBL8782255 0.92 HRH1 (0.66) AKR1B1HRH1LMNAPARP1
SCHEMBL9750044 0.89 AKR1B1 (0.49) AKR1B1HRH1LMNAPARP1
SCHEMBL5060352 0.89 AKR1B1 (0.49) AKR1B1HRH1LMNAPARP1

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