SCHEMBL8935392

SCHEMBL8935392

NC(=O)CC(N)Cc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.62
S1PR1 P21453 4/20 0.51
S1PR3 Q99500 1/20 0.51
LTA4H P09960 2/20 0.50
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
LMNA P02545 1/20 0.49
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
PPARD Q03181 1/20 0.46

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
SCHEMBL8935463 0.84 EPHX1 (0.53) FFAR1PPARGPPARA
SCHEMBL8302412 0.81 EPHX1 (0.61)
SCHEMBL7346982 0.81 EPHX1 (0.61)
SCHEMBL7346978 0.81 EPHX1 (0.61)
Hydrochloric Acid SCHEMBL28589045 0.80 EPHX1 (0.59)
Hydrochloric Acid SCHEMBL28589046 0.80 EPHX1 (0.59)
SCHEMBL9460478 0.79 FFAR1 (0.62) FFAR1S1PR1S1PR3LTA4HPPARG
SCHEMBL1744690 0.77 FFAR1 (1.00) FFAR1S1PR1S1PR3PPARGPPARA
Hydrochloric Acid SCHEMBL5754602 0.77 FFAR1 (0.59) FFAR1S1PR1S1PR3LTA4HPPARG
Acetic Acid SCHEMBL6692778 0.77 ALPI (0.56) LTA4H

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed