SCHEMBL6940726

SCHEMBL6940726

COCCCOc1cc(CCCCCCC(C(=O)NCCC(=O)N2CCOCC2)(C(C)C)C(C)C)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.52
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4B Q07343 1/20 0.39

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
Hydrochloric Acid SCHEMBL6938981 0.99 REN (0.53) RENKMT2AHTTMEN1ALDH1A1
SCHEMBL6943202 0.89 REN (0.55) RENALDH1A1TSHRLMNAKDM4E
Hydrochloric Acid SCHEMBL6947328 0.88 REN (0.57) RENALDH1A1TSHRLMNAKDM4E
Hydrochloric Acid SCHEMBL6942968 0.88 REN (0.56) RENALDH1A1KDM4EGLAHPGD
SCHEMBL6944430 0.85 REN (0.51) REN
SCHEMBL6943818 0.85 REN (0.43) RENKMT2AHTTMEN1PDE4B
Hydrochloric Acid SCHEMBL6947174 0.84 REN (0.44) RENKMT2AHTTMEN1PDE4B
SCHEMBL6946620 0.84 REN (0.51) RENALDH1A1LMNA
SCHEMBL6947152 0.84 REN (0.51) REN
SCHEMBL6944413 0.83 REN (0.48) RENKMT2AALDH1A1TSHRLMNA

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
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO claimed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed