SCHEMBL3926147

SCHEMBL3926147

COc1ccccc1ON(C(=O)C1=C(C(=O)O)CCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.45
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
LTC4S Q16873 6/20 0.39
MAPT P10636 1/20 0.39
RORC P51449 2/20 0.38
RORB Q92753 1/20 0.38

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
SCHEMBL3914431 0.87 LTB4R2 (0.42) RXFP1SMN1; SMN2DHODHLMNATSHR
SCHEMBL3926520 0.80 LMNA (0.39) HTTDHODHLMNAMAPT
SCHEMBL3916848 0.76 LMNA (0.42) HTTLMNAMAPT
SCHEMBL3918834 0.73 DHODH (0.41) DHODHTSHR
SCHEMBL5491797 0.71 CES2 (0.47) RXFP1HTTLMNAMAPT
SCHEMBL3926139 0.69 LMNA (0.57) RXFP1HTTDHODHLMNAMAPT
SCHEMBL3914255 0.68 TSHR (0.43) HTTSMN1; SMN2DHODHLMNATSHR
SCHEMBL3916870 0.68 F2 (0.40) SMN1; SMN2DHODHTSHR
SCHEMBL4461612 0.65 ATM (0.45) RXFP1HTTSMN1; SMN2MAPT
SCHEMBL17891690 0.65 RXFP1 (0.43) RXFP1HTTSMN1; SMN2LMNATSHR

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-1392642-B1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-09 EP disclosed
EP-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 EP disclosed