SCHEMBL8557960

SCHEMBL8557960

CN1OC1(C(=O)Oc1ccc(OCc2ccc(-c3ccccc3)cn2)cc1)c1ccc(OCc2ccc(-c3ccccc3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.41
ALOX5 P09917 2/20 0.40
ALOX5AP P20292 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ABL1 P00519 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
LYN P07948 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 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
SCHEMBL8835183 0.84 PARP10 (0.50) ALOX5ALOX5APKDM4ENPC1ALDH1A1
SCHEMBL8560309 0.82 KCNH2 (0.39) GRM5KDM4ENPC1ALDH1A1POLB
SCHEMBL8557729 0.81 PDE10A (0.43) ALOX5ALOX5APKDM4ENPC1MAPT
SCHEMBL8834199 0.80 GPBAR1 (0.55) ALOX5ALOX5AP
SCHEMBL8559969 0.77 PPARD (0.49) ALOX5KDM4ENPC1POLBMAPT
SCHEMBL8559981 0.76 PARP10 (0.39) KDM4ENPC1ALDH1A1MEN1KMT2A
SCHEMBL8559028 0.73 PDE10A (0.45) ALOX5ALOX5APNPC1POLBMAPT
SCHEMBL8557961 0.70 MAPT (0.42) ALOX5KDM4ENPC1ALDH1A1POLB
SCHEMBL8559076 0.69 KMT2A (0.40) GRM5ALOX5ALOX5APKDM4EALDH1A1
SCHEMBL5383088 0.69 CYSLTR1 (0.56) GRM5ALOX5ALOX5APKDM4EMAPT

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed