SCHEMBL8782255

SCHEMBL8782255

CN(C)CCN=C1c2ccccc2COc2ccc(CC(=O)O)cc21

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.66
LMNA P02545 1/20 0.66
AKR1B1 P15121 1/20 0.55
PARP1 P09874 1/20 0.52

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
SCHEMBL5056472 1.00 HRH1 (0.66) HRH1LMNAAKR1B1PARP1
SCHEMBL5056474 1.00 HRH1 (0.66) HRH1LMNAAKR1B1PARP1
SCHEMBL5066508 0.94 HRH1 (0.63) HRH1LMNAAKR1B1PARP1
SCHEMBL5060493 0.94 HRH1 (0.63) HRH1LMNAAKR1B1PARP1
SCHEMBL9749942 0.94 HRH1 (0.63) HRH1LMNAAKR1B1PARP1
SCHEMBL5060821 0.92 AKR1B1 (0.64) HRH1LMNAAKR1B1PARP1
SCHEMBL9750101 0.92 AKR1B1 (0.64) HRH1LMNAAKR1B1PARP1
SCHEMBL5060820 0.92 AKR1B1 (0.64) HRH1LMNAAKR1B1PARP1
SCHEMBL5066504 0.90 HRH1 (0.56) HRH1LMNAAKR1B1
SCHEMBL9750094 0.90 HRH1 (0.56) HRH1LMNAAKR1B1

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
EP-0235796-B2 Dibenz [b,e] oxepin derivative and antiallergic and antiinflammatory agent KYOWA HAKKO KOGYO KK (JP) 1997-03-12 EP disclosed
US-5116863-A Antiallergens, antiinflammatory agents; asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed