SCHEMBL9504613

SCHEMBL9504613

CSCONCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
LMNA P02545 2/20 0.39
SLC22A6 Q4U2R8 2/20 0.39
ADRA1A P35348 1/20 0.38
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PRMT1 Q99873 1/20 0.36
PLA2G4A P47712 1/20 0.36
PPARG P37231 5/20 0.35
PPARD Q03181 5/20 0.35
PPARA Q07869 5/20 0.35
HDAC11 Q96DB2 4/20 0.35
GPR84 Q9NQS5 3/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35
SLC22A8 Q8TCC7 1/20 0.35

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
SCHEMBL24405050 0.79 TSHR (0.45) TSHRLMNASLC22A6AKR1B1ALDH1A1
SCHEMBL15789267 0.77 LMNA (0.43) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL670146 0.77 LMNA (0.43) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL28284450 0.72 ADRA1A (0.52) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL114655 0.71 TSHR (0.48) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL27531416 0.71 PRMT1 (0.48) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL874912 0.69 ALDH1A1 (0.52) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL7286124 0.69 TSHR (0.43) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL39777 0.68 ALDH1A1 (0.55) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL22200111 0.67 ADRA1A (0.46) TSHRLMNAADRA1ANFKB1PMP22

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed