SCHEMBL9423792

SCHEMBL9423792

COCOc1ccc(C(O)c2ccc(Cl)cc2)cc1N(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.44
AOC3 Q16853 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
FDPS P14324 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL9423666 0.78 LMNA (0.49) CCR5LMNASMN1; SMN2POLBHRH3
SCHEMBL9423716 0.78 TSHR (0.37) LMNAKMT2ABRD4HRH3SLC6A2
SCHEMBL282482 0.73
SCHEMBL19381538 0.69 GAA (0.41) CCR5LMNAPOLBMEN1KMT2A
SCHEMBL1978915 0.69 CNR2 (0.48) LMNASMN1; SMN2POLBNPC1CNR2
SCHEMBL282542 0.69 CCR5 (0.57) CCR5LMNAPOLBMEN1KMT2A
SCHEMBL19381533 0.67 CCR5 (0.33) CCR5LMNASMN1; SMN2ITGB1ITGA4
SCHEMBL7609582 0.66 ELANE (0.43) AOC3LMNAPOLB
SCHEMBL3394593 0.66 FDPS (0.47) LMNASMN1; SMN2POLBNPC1FDPS
SCHEMBL2521226 0.66 IDO1 (0.44) AOC3LMNASMN1; SMN2POLBNPC1

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-5308840-A Antioxidants, antiallergens and antiinflammatory agents GREEN CROSS CORPORATION (JP) 1994-05-03 US disclosed
EP-0508334-A2 Novel aminophenol derivatives and pharmaceutical compositions thereof THE GREEN CROSS CORPORATION (JP) 1992-10-14 EP disclosed