SCHEMBL11229326

SCHEMBL11229326

O=C(Cl)OCc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.62
KDR P35968 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
ABCB11 O95342 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MAOB P27338 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
NOTUM Q6P988 1/20 0.43
SLC6A4 P31645 1/20 0.43
PYCR1 P32322 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PDK1 Q15118 1/20 0.42
P2RX7 Q99572 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL11226918 0.88 IDO1 (0.46) IDO1ALDH1A1PTGDR2NOTUM
SCHEMBL3928139 0.80 MEN1 (0.56) IDO1ALDH1A1MAPT
SCHEMBL28785033 0.79 IDO1 (0.52) IDO1KDRKDM4CGPR84PPARG
SCHEMBL11434970 0.79 IDO1 (0.54) IDO1KDRABCB11GPR84PPARG
SCHEMBL1859313 0.77 IDO1 (1.00) IDO1GPR84MAOBSLC6A4PYCR1
SCHEMBL1590516 0.76 RXRA (0.55) IDO1KDRABCB11PPARGPPARA
SCHEMBL30302148 0.76 RXRA (0.55) IDO1KDRABCB11PPARGPPARA
SCHEMBL8198450 0.75 ALDH1A1 (0.58) IDO1ALDH1A1MAOB
SCHEMBL6239485 0.75 PTGDR2 (0.66) IDO1KDM4CPPARGPPARAPTGDR2
SCHEMBL932893 0.74 IDO1 (0.61) IDO1KDRABCB11GPR84NOTUM

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-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 US disclosed