SCHEMBL6803522

SCHEMBL6803522

C[CH]c1ccc(OCC)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.56
MAPT P10636 6/20 0.56
GAA P10253 2/20 0.56
KDM4E B2RXH2 1/20 0.56
FDPS P14324 2/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
IGF1R P08069 1/20 0.54
ALOX12 P18054 1/20 0.54
TSHR P16473 1/20 0.51
TUBB1 Q9H4B7 2/20 0.51
LMNA P02545 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE3A Q14432 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL7852893 0.90 ALDH1A1 (0.53) AMY1AMAPTGAAKDM4EKMT2A
SCHEMBL29655344 0.86 ALDH1A1 (0.69) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL891274 0.86 ALDH1A1 (0.69) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL8925892 0.86 ALDH1A1 (0.69) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL356256 0.86 ALDH1A1 (0.69) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL721179 0.84 ALDH1A1 (0.65) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL356800 0.84 FDPS (0.77) MAPTFDPSNPC1RAB9AALDH1A1
SCHEMBL16955576 0.84 MAPT (0.56) AMY1AMAPTGAAKDM4EFDPS
SCHEMBL6215450 0.84 TRPA1 (0.56) AMY1AMAPTGAAKDM4EFDPS
SCHEMBL27539558 0.81 FDPS (0.58) MAPTKDM4EFDPSNPC1RAB9A

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-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed