SCHEMBL8479735

SCHEMBL8479735

COCOc1ccc(N2CCCC2)c(F)c1-c1ccc(C(=O)O)c(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
PDE4D Q08499 4/20 0.41
RARG P13631 5/20 0.38
RARA P10276 4/20 0.38
RARB P10826 4/20 0.38
EGFR P00533 2/20 0.37
ERAP1 Q9NZ08 2/20 0.35
PPARD Q03181 1/20 0.34
XDH P47989 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8480273 0.99 MRGPRX4 (0.41) MRGPRX4PDE4DRARGRARARARB
SCHEMBL8478786 0.84 PDE4D (0.41) MRGPRX4PDE4DRARGEGFRPPARD
SCHEMBL8481711 0.84 PDE4D (0.46) MRGPRX4PDE4DRARGEGFRPPARD
SCHEMBL8479739 0.78 MRGPRX4 (0.39) MRGPRX4RARGRARARARBEGFR
SCHEMBL8480279 0.78 MRGPRX4 (0.38) MRGPRX4RARGRARARARBERAP1
SCHEMBL8476993 0.76 EGFR (0.40) PDE4DRARARARBEGFRPPARD
SCHEMBL8476017 0.71 ERAP1 (0.44) RARGRARARARBEGFRERAP1
SCHEMBL8480189 0.70 ERAP1 (0.46) RARGRARARARBEGFRERAP1
SCHEMBL8479737 0.67 RARA (0.39) RARGRARARARBEGFRERAP1
SCHEMBL8480277 0.67 ERAP1 (0.40) RARGRARARARBEGFRERAP1

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
US-5914406-A ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMAN-LA ROCHE INC. (US) 1999-06-22 US disclosed
US-5750706-A TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US disclosed