SCHEMBL8701384

SCHEMBL8701384

c1ccc(OCCN2CCCCC2CCn2ccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.61
LTA4H P09960 1/20 0.51
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
NOS1 P29475 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
SCHEMBL8696336 0.83 HMOX1 (0.47) TBXAS1KMT2AMEN1
SCHEMBL8696869 0.82 TP53 (0.46) TBXAS1KMT2AKDM4EALDH1A1MEN1
SCHEMBL8542041 0.81 CYP19A1 (0.45) TBXAS1
SCHEMBL8698471 0.80 HMOX1 (0.46) TBXAS1
Hydrochloric Acid SCHEMBL8698587 0.80 TBXAS1 (0.46) TBXAS1
SCHEMBL8696858 0.78 TBXAS1 (0.55) TBXAS1KMT2AKDM4EALDH1A1MEN1
SCHEMBL8698078 0.78 CYP19A1 (0.50) TBXAS1
SCHEMBL8540883 0.78 TBXAS1 (0.65) TBXAS1LTA4HKMT2AKDM4EALDH1A1
SCHEMBL10370478 0.78 TBXAS1 (1.00) TBXAS1LTA4HKMT2AKDM4EALDH1A1
SCHEMBL8699135 0.77 TBXAS1 (0.58) TBXAS1KMT2AKDM4EALDH1A1MEN1

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-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed